Рентгеноструктурен анализ

 Лаборатория Рентгеноструктурен анализ

От ляво на дясно: Борис Шивачев, Росица Николова, Луиза Димова, 
Яна Цветанова, Огнян Петров, Владислав Костов-Китин

Апаратура

  • X-ray powder diffractometer D2 Phaser BrukerAXS, Cu radiation.
    Модел 2009 г., работен режим, първи пуск октомври 2009. (собствени средства)

 

 

Specifications:
 X-ray source: Cu target (Cu Kα, λ = 0.154060 nm).
Goniometer system: 2θ  range (˚): -5.66983 ~ 177.386; 
Minimum spacing (˚): 0.002; 
Exposure time (s): 0.025 ~ 86400

  • X-ray single crystal diffractometer Enraf-Nonius CAD-4
    Модел 1985 г., Статус: работен режим, първи пуск 1986 г.
  • Powder diffractometers DRON-UM1 and DRON-3M with PC-based system for phase identification, Co radiation, 
    Модел 1985 г., Статус: работен режим, първи пуск 1986 г.
  • X-ray powder/single crystal diffractometer Siemens P4 (Mo, 180 K),
    Модел 1991 г., Статус: преработка до SAXS, (дарение Проф. W. Sheldrick, Bochum University).
  • Определяне на размер на частици чрез динамично разсейване на светлината (Dynamic Light Scattering, DLS) апарат от Brookhaven instruments, модел 90plus, обхват <1 nm to 6 µm , температура 6 - 90 oC (also known as Photon Correlation Spectroscopy or Quasi-Elastic Light Scattering).
    Модел 2010 г., гаранция 2 г. първи пуск януари 2011 г. (ДРНФ 02/1)

 

 

 

Видове проби:

  • Твърди вещества: природни и синтетични оптични кристали и стъкла (едностранно и двойнополирани пластинки)

  • Монокристални

  • Tънки слоеве

  • Течности

Възможности:          

 Цени на анализи и услуги

Състав

Ръководител

Области на научни интереси

доц. д-р Росица Николова

 

 

 

Сътрудници

 

Проф. д-р Огнян Петров

минералогия, кристалография, рентгеноструктурен анализ, прахова рентгенография, зеолити, екология и материалознание

доц. д-р Владислав Костов-Китин

 

доц. д-р Борис Шивачев

биологично активни вещества, лекарствени препарати, (белтъци, протеини, ДНК), водородни връзки, самоорганизация, дефекти, кристален растеж, монокристален структурен анализ, биокерамики, стъкла (боратни, телуритни), нано частици (CNT, SiO2, TiO2 и др.)

гл. ас. д-р Луиза Терзийска

 

специалист Яна Цветанова, докторант

 

гл. ас. д-р Милен Кадийски

 

гл. ас. д-р Станислав Фердов

 

   

Докторанти

 

Лилия В. Цветанова

 

Христина И. Сбиркова

 

Венцислав Дюлгеров

 

Мариана Енчева

 

Основни научни области

  • Минералогия, кристалография, материалознание, нови материали, биологично активни вещества, белтъци, ДНК

Методи

ЛРСА поддържа на добро ниво възможности за:

  • Научни изследвания, водещи до важни, публикуеми резултати в импактфакторни специализирани международни и национални научни списания

  • Провеждане на обучение на студенти, магистри, докторанти, специализанти

  • Осъществяване на научен трансфер по международни проекти с Чешката академия на науките; Техническия университет в Талин; Университета в Гент, Белгия, Виенския университет (Институт по минералогия и кристалография) и научни институти в Кайро, Берн, Авейро, Киото и др.

Продукция на ЛРСА

За 20-те години на функциониране са осъществени около 20 000 прахови ренгенофазови анализа и чрез монкристален анализ са решени около 100 структури на нови кристални вещества. За междунароната еталонна картотека (PDF база данни) на ICDD са изработени над 200 еталонни файла и почти толкова структурни масива за нови вещества за база данни ICSD.

Около 30% от извършените анализи са за външни клиенти:

  • Научни институции – СУ „Св. Кл. Охридски”, ХТМУ, МГУ, Русенски университет, Пловдивски университет; институти на БАН – ИОНХ, ИФТТ, ГИ, ИОХ с център по фитохимия, Институт по полимери, Институт по молекулярна биология, Геофизичен институт, Геологически институт, Институт по металознание

  • Клиенти от индустрията – Каолин АД, Биовет – Пещера, Софарма АД, Челопеч Майнинг АД, Златна Панега - Цимент АД, Асарел - Медет АД, Техцем АД, ТЕЦ Марица - Изток 3, НИИ "Геология и Геофизика" АД, Нипроруда АД, KAI Майнинг ЕООД и др.

Проекти  

  • ВУХ-01/05 към ФНИ „Синтез, структура и комплексообразувателни свойства на серия от циклоалканспиро-5-хидантоини и техните моно- и ди-тио аналози”, 2005 – 2008 г.

  • 039 към СУ „Нови комплекси на рутений с азотсъдържащи лиганди - получаване, структура и свойства. Насочен синтез на потенциални противотуморни препарати”, 2006 – 2008 г.

  • ВУ-ТН-965 към ФНИ „Селениди на редкоземните елементи като нови материали за полупроводниковата техника - синтез, структура и свойства”, 2007 – 2009 г.

  • ТК– Х 1715/08 към ФНИ  „Израстване, характеризиране и изследване на физичните свойства на нови кристали в системите Bi-Co(Ni)- Mn(Ru)-O и La-Co(Ni)-Mn(Ru)-O с магнитоелектрично /мултифероично поведение”, 2008 - 2010  г.

  • TK 358/08 към ФНИ "Нови биоразградими наноструктурирани материали, ускоряващи остеогенезата", 2008 – 2010 г.

  • ТК– Х 1715/07 към ФНИ "Модифициране и моделиране на физични параметри на кристали за оптичен запис и обработка на информация", 2008 – 2010 г.

  • ДОО2-305 към ФНИ „Нови многокомпонентни стъкловидни телуритни матрици, притежаващи променливи нелинейно оптични свойства”, 2009 - 2011 г.

  • Международен двустранен договор категория “А” между Българската и Чешката Академии на Науките: “Синтез и кристалохимично изследване на нови микропорести минерали – потенциални катализатори и сорбенти”, 2005 – 2007 г., продължен 2007 - 2010 г.

  • Договор по проект за конкурсна сесия на ФНИ за двустранно сътрудничество между България и Украйна „Синтез на нови неорганични йонити (титаносиликати и циркониев диоксид) и изследване на тяхната ефективност за отстраняване на дългоживущи радионуклеиди (в частност Cs, Sr), както и токсични аниони във води и отпадни води”, 2009 - 2011 г.

  • DRNF 02/01 Structural characterization of new materials (2010-2011). (PI Associate Prof. Rositsa Nikolova, Associate. Prof. Boris Shivachev, Associate Professor Ognyan Petrov, Associate Professor Vladislav Kostov, Milen KadiyskyPhD student)

  • Nanogenotox, Safety evaluation of manufactured nanomaterials by characterisation of their potential genotoxic hazard (2010-2012) (PI Associate. Prof. Boris Shivachev, Associate Prof. Rositsa Nikolova, Associate Professor Ognyan Petrov, Associate Professor MIkhail Tarassov, Associate Professor Vergil Dimov, Associate Professor Diana Nihtianova, assist. researcher Iskra Piroeva, assist. researcher Louiza Dimova)
     

  • Лабораторията е изследвала проби на редица фирми като: Каолин АД, Биовет – Пещера, Софарма АД, Челопеч Майнинг АД, Златна Панега - Цимент АД, Асарел - Медет АД, Техцем АД, ТЕЦ Марица - Изток 3, НИИ "Геология и Геофизика" АД, Нипроруда АД, KAI Майнинг ЕООД и др.

Лекции и курсове

"Практически курс по  прахова рентгенография" към МГУ "Св. Иван Рилски",  доц. д-р Огнян Петров

Лятно училище за студенти и докторанти, финансирано от DAAD, Германия 2004, 2005, 2006 г. лекции (4 учебни часа) на тема „Рентгeноструктурен анализ на малки молекули” - доц. д-р Росица Петрова

„Физика І и ІІ" към ТУ - София и ХТМУ - София - доц. д-р Борис Шивачев

 Кратко въведение в кристалографията

 

Структури 

 1.         CIPZEG, N.D.Yordanov, V.Alexiev, J.Macicek, T.Glowiak, and D.R.Russell: 'bis(O,O'-Di-o-tolyl-dithiophosphato-S,S')-copper(ii)', Transition Met.Chem., 1983, 8, 257.

http://dx.doi.org/10.1007/BF00620863

2.         CUIPDT01, N.D.Yordanov, V.Alexiev, J.Macicek, T.Glowiak, and D.R.Russell: 'tetrakis((mu3-O,O'-Di-isopropyl-dithiophosphato-S,S,S')-copper(i))', Transition Met.Chem., 1983, 8, 257.

http://dx.doi.org/10.1007/BF00620863

3.         DIMKEP, J.Macicek: 'bis(Formyl-hydrazine) diformylhydrazine', Eur.Cryst.Meeting, 1985, 9, 183.

 

4.         DIMKIT, J.Macicek: 'bis(Formylhydrazine-N,O)-bis(isothiocyanato)-cobalt(ii)', Eur.Cryst.Meeting, 1985, 9, 183.

 

5.         VAGTIG, J.Macicek, G.H.Davarska, and K.A.Davarski: 'bis(2-Aminobenzothiazole-N)-dichloro-cobalt(ii)', Z.Kristallogr., 1987, 180, 157.

 

6.         SACBIH, P.R.Bontchev, M.Mitewa, G.Gencheva, J.Macicek, O.Angelova, and V.I.Nefedov: 'Dinitro-bis(creatinine-N)-platinum(ii)', Proc.Conf.Coord.Chem., 1987, 11, 37.

 

7.         SACBON, P.R.Bontchev, M.Mitewa, G.Gencheva, J.Macicek, O.Angelova, and V.I.Nefedov: 'tetrakis(Creatinine-N)-platinum(ii) diperchlorate', Proc.Conf.Coord.Chem., 1987, 11, 37.

 

8.         SACBIH10, J.Macicek, O.Angelova, G.Gencheva, M.Mitewa, and P.R.Bontchev: 'cis-bis(Creatinine-N)-dinitro-platinum(ii)', J.Crystallogr.Spectrosc.Res., 1988, 18, 651.

http://dx.doi.org/10.1007/BF01164285

9.         GEKYEA, J.Macicek, O.Angelova, G.Petrov, and M.Kirilov: 'catena-[bis(mu2-3-Dipropoxyphosphoryl-3-cyanoprop-2-en-2-olato-N,O,O')-copper(ii)]', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1988, 44, 626.

http://dx.doi.org/10.1107/S0108270187012368

10.       SACBON10, M.Mitewa, G.Gencheva, P.R.Bontchev, O.Angelova, and J.Macicek: 'tetrakis(Creatininato-N)-platinum(ii) diperchlorate', Polyhedron, 1988, 7, 1273.

http://dx.doi.org/10.1016/S0277-5387(00)81223-1

11.       VEBFEN, O.Angelova, E.M.G.Kirilov, M.Kirilov, G.Petrov, J.Kaneti, and J.Macicek: 'bis((mu2-4,4-Diphenyl-4-lambda5-phosphahepta-2,4-diene-2,6-dionato-O,O,O')-tetrahydrofuran-lithium tetrahydrofuran solvate)', J.Chem.Soc.,Perkin Trans.2, 1989, 1405.

http://dx.doi.org/10.1039/p29890001405

12.       SATBOE, O.Angelova, G.Petrov, and J.Macicek: 'catena((mu2-3-Cyano-2,4-pentanedionato-O,O',N)-(3-cyano-2,4-pentanedionato-O,O')-copper(ii))', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1989, 45, 710.

http://dx.doi.org/10.1107/S0108270188013253

13.       KEJFOU, J.Macicek, D.M.Mondeshka, and V.A.Parashikov: 'Sodium 4-carbamoyl-5,5-dimethyl-5H-1,2-oxaphosphole 2,2-dioxide tetrahydrate', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1990, 46, 593.

http://dx.doi.org/10.1107/S0108270189009352

14.       KIJSOL, N.D.Yordanov, G.Gochev, O.Angelova, and J.Macicek: 'bis(Di-n-propyldithiophosphinato-S,S')-nickel(ii)', Polyhedron, 1990, 9, 2597.

http://dx.doi.org/10.1016/S0277-5387(00)86834-5

15.       SIXSUN, N.Dodoff, J.Macicek, O.Angelova, S.Varbanov, and N.Spassovska: 'fac-tris((Dimethylphosphinoyl)methanamide-N,O)-nickel(ii) dichloride trihydrate', J.Coord.Chem., 1990, 22, 219.

 

16.       SIYPAR, A.Georgieva, E.Stanoeva, S.Spassov, J.Macicek, O.Angelova, M.Haimova, and N. D. Kimpe: '(3SR,3aRS,9bSR)-7,8-Dimethoxy-3,3a-dimethyl-4-isopropyl-3,3a-dihydrofuro(3,4-c)isoquinoline-1,5(4H,9bH)-dione', Tetrahedron, 1991, 47, 3375.

http://dx.doi.org/10.1016/S0040-4020(01)86402-4

17.       SIYPEV, A.Georgieva, E.Stanoeva, S.Spassov, J.Macicek, O.Angelova, M.Haimova, and N. D. Kimpe: 'Methyl (13RS,13aRS)-13a-chloromethyl-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-dibenzo(a,g)quinolizin-8-one-13-carboxylate', Tetrahedron, 1991, 47, 3375.

http://dx.doi.org/10.1016/S0040-4020(01)86402-4

18.       VIYXAC, B.Kratochvil, J.Ondracek, J.Maixner, J.Macicek, and V.Haber: '(1-Phenyl-3-(2-((2-aminoethyl)amino)ethylimino)-1-butenolato-O,N,N',N'')-palladium(ii) thiocyanate', Collect.Czech.Chem.Commun., 1991, 56, 1900.

 

19.       SICHUH01, B.Kratochvil, J.Ondracek, J.Novotny, J.Macicek, and V.Haber: '(1-Phenyl-3-(2-(2-aminoethyl(amino)ethylimino))-1-buten-1-olato-O,N,N',N'')-palladium(ii) perchlorate', Collect.Czech.Chem.Commun., 1991, 56, 85.

 

20.       KIPSEH, J.Macicek, O.Angelova, and N.Dodoff: 'cis-Dichloro-(methylphosphinylidene-bis(methylamine-N,N'))-platinum(ii) hemihydrate', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1991, 47, 971.

http://dx.doi.org/10.1107/S0108270190012689

21.       JIZHEF, J.Macicek and T.Vladkova: '(5-Carboxypentyl)ammonium dihydrogenphosphate', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1991, 47, 2709.

http://dx.doi.org/10.1107/S0108270191007801

22.       VIWXUU, O.Angelova, J.Macicek, M.Atanasov, and G.Petrov: 'catena(bis(3-Cyano-2,4-pentanedionato-O,O')-cobalt(ii))', Inorg.Chem., 1991, 30, 1943.

http://dx.doi.org/10.1021/ic00008a049

23.       JITHOJ, V.P.Fedin, M.N.Sokolov, K.G.Myakishev, O.A.Geras'ko, V.Ye.Fedorov, and J.Macicek: 'bis(bis(Triphenylphosphine)iminium) hexachloro-(mu3-sulfido)-tris(mu2-disulfido)-tri-tungsten', Polyhedron, 1991, 10, 1311.

http://dx.doi.org/10.1016/S0277-5387(00)81263-2

24.       PAFXEZ, G.Gencheva, M.Mitewa, P.R.Bontchev, G.Gochev, J.Macicek, E.Zhecheva, and N.D.Yordanov: 'Tetraphenylarsonium trichloro-(creatinine-N)-platinum(ii)', Polyhedron, 1992, 11, 365.

http://dx.doi.org/10.1016/S0277-5387(00)83183-6

25.       VUNBIP, G.Petrov, A.Alexiev, O.Angelova, and J.Macicek: 'hexakis(mu2-Ethylacetoacetato-O,O,O')-tri-magnesium', J.Coord.Chem., 1992, 25, 101.

 

26.       VUJBOR, J.Macicek, G.Gencheva, M.Mitewa, P.R.Bontchev, Y.Lampeka, and S.Gavrish: '1,11-Dihydro-5,7-dioxo-1,4,8,11-tetra-azacyclotetradecane tetrachloro-platinum(ii) monohydrate', J.Inclusion Phenom.Mol.Recog.Chem., 1992, 13, 195.

http://dx.doi.org/10.1007/BF01053643

27.       VUNBAH, O.Angelova, J.Macicek, and G.Petrov: 'catena-(Ethanol-bis(mu2-3-cyano-2,4-pentanedionato-O,O,O',N)-(mu2-3-cyano-2,4-pentanedionato-O,O,O')-sodium-zinc(ii))', J.Coord.Chem., 1992, 24, 305.

 

28.       VUNBEL, O.Angelova, J.Macicek, and G.Petrov: 'catena-(tris(mu3-Di-O-ethyl 1-cyano-2-oxo-propylphosphonato-O,O,O',N)-sodium-zinc(ii))', J.Coord.Chem., 1992, 24, 305.

 

29.       VUGLUE, O.Angelova, J.Macicek, N.G.Vassilev, S.Momchilova, and J.Petrova: 'threo(RR,SS) Diethyl (2-hydroxy-1,2-diphenylethyl)phosphonate', J.Crystallogr.Spectrosc.Res., 1992, 22, 253.

http://dx.doi.org/10.1007/BF01199525

30.       VUGMAL, O.Angelova, J.Macicek, N.G.Vassilev, S.Momchilova, and J.Petrova: '(+-) Diethyl (1-hydroxycyclopentyl)-((2-methylphenyl)methyl)phosphonate', J.Crystallogr.Spectrosc.Res., 1992, 22, 253.

http://dx.doi.org/10.1007/BF01199525

31.       VUSXAI, P.Bontchev, H.Kadum, G.Gochev, B.Evtimova, J.Macicek, and C.Nachev: 'bis((5-Aminosulfonyl-4-chloro-2-((2-furanylmethyl)amino)benzoic acid-O)-methanol)-copper(ii)', Polyhedron, 1992, 11, 1973.

http://dx.doi.org/10.1016/S0277-5387(00)83747-X

32.       LABNOR, J.Macicek, J.Tcholakova, and M.Parvanova: '1-Benzhydryl-4-(2-benzoylethyl)piperazinium tetrachloro-copper(ii) monohydrate', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1993, 49, 788.

http://dx.doi.org/10.1107/S0108270192012058

33.       WACDIN, J.Macicek and K.Davarski: 'bis(2-Aminothiazole-N)-dichloro-zinc(ii)', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1993, 49, 592.

http://dx.doi.org/10.1107/S0108270192010382

34.       LAVCAM, J.Macicek, O.Angelova, and V.Dryanska: '3-Cyano-4-(2-fluorophenyl)-1,1-diphenyl-2-aza-1,3-butadiene', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1993, 49, 1818.

http://dx.doi.org/10.1107/S0108270193003166

35.       LAVCIU, J.Macicek, O.Angelova, and V.Dryanska: '3-Cyano-4-(4-fluorophenyl)-1,1-diphenyl-2-aza-1,3-butadiene', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1993, 49, 1818.

http://dx.doi.org/10.1107/S0108270193003166

36.       WEBFAK, J.Macicek, O.Angelova, and V.Dryanska: '3-Cyano-4-(2,4-dichlorophenyl)-1,1-diphenyl-2-azabuta-1,3-diene', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1993, 49, 2169.

http://dx.doi.org/10.1107/S0108270193006420

37.       WEBFEO, J.Macicek, O.Angelova, and V.Dryanska: '3-Cyano-4-(2,4-dimethoxyphenyl)-1,1-diphenyl-2-azabuta-1,3-diene', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1993, 49, 2169.

http://dx.doi.org/10.1107/S0108270193006420

38.       KUZNIC, N.D.Yordanov, M.Ivanova, G.Gochev, and J.Macicek: 'bis(Di-isopropyldithiophosphato)-palladium(ii)', Polyhedron, 1993, 12, 117.

http://dx.doi.org/10.1016/S0277-5387(00)87061-8

39.       LAVBIT, O.Angelova, J.Macicek, and V.Dryanska: '3-Cyano-4-(2-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1993, 49, 1813.

http://dx.doi.org/10.1107/S0108270193003695

40.       LAVBOZ, O.Angelova, J.Macicek, and V.Dryanska: '3-Cyano-4-(3-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1993, 49, 1813.

http://dx.doi.org/10.1107/S0108270193003695

41.       LAVBUF, O.Angelova, J.Macicek, and V.Dryanska: '3-Cyano-4-(4-methoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1993, 49, 1813.

http://dx.doi.org/10.1107/S0108270193003695

42.       LAVCOA, O.Angelova, J.Macicek, and V.Dryanska: '3-Cyano-4-(4-cyanophenyl)-1,1-diphenyl-2-aza-1,3-butadiene', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1993, 49, 1821.

http://dx.doi.org/10.1107/S0108270193003178

43.       WEBDUC, O.Angelova, J.Macicek, V.Kalcheva, and M.Tosheva: '3-Benzyl-2-(3-hydroxy-2-pyridylimino)-4-methyl-2,3-dihydro-1,3-thiazole', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1993, 49, 2167.

http://dx.doi.org/10.1107/S0108270193006079

44.       HEKHUA, J.Macicek, N.Dodoff, and N.Spassovska: 'cis-Ammine-(benzoylhydrazine-N)-dichloro-platinum(ii)', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1994, 50, 1214.

http://dx.doi.org/10.1107/S0108270194001757

45.       HATXEF, J.Macicek, O.Angelova, V.Kalcheva, and M.Tosheva: '2-((5-Phenyl-1,3,4(3H)-thiadiazin-2-yl)imino)-3-pyridinol', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1994, 50, 252.

http://dx.doi.org/10.1107/S0108270193011916

46.       ZAYYUT, J.Petrova, Z.Zdravkova, O.Angelova, and J.Macicek: 'tris((2-Diethoxyphosphonyl)-2-phenylethen-1-olato)-iron(iii)', J.Coord.Chem., 1994, 33, 161.

 

47.       ZIKGAB, J.Macicek and O.Angelova: 'catena-(tetrakis(mu3-Perrhenate)-bis(mu2-perrhenate)-bis(mu2-thiourea)-di-aqua-tri-lead)', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1995, 51, 2539.

 

48.       YUDTIA, J.Macicek, O.Angelova, and R.Petrova: 'catena-(pentakis(mu2-Oxo)-(mu2-urea)-trioxo-aqua-lead-di-rhenium)', Z.Kristallogr., 1995, 210, 24.

 

49.       YUDTOG, J.Macicek, O.Angelova, and R.Petrova: 'catena-((mu2-Urea)-hexakis(mu2-oxo)-diurea-trioxo-barium-di-rhenium)', Z.Kristallogr., 1995, 210, 24.

 

50.       YUFREW, J.Macicek, O.Angelova, and R.Petrova: 'catena-(Aqua-urea-bis(tetraoxo-rhenium)-calcium)', Z.Kristallogr., 1995, 210, 319.

 

51.       ZARYOG, V.Dryanska, O.Angelova, J.Macicek, L.Shishkova, P.Denkova, and S.Spassov: '(E)-4-(2-Bromophenyl)-3-cyano-1,1-diphenyl-2-azabuta-1,3-diene', J.Chem.Res., 1995, 268, 1601.

 

52.       TEJZEN, J.Macicek, G.Gencheva, and M.Mitewa: 'tetrakis(2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-one-N)-platinum(ii) dithiocyanate', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1996, 52, 2429.

http://dx.doi.org/10.1107/S0108270196007901

53.       NIHTON, K.Davarski, J.Macicek, and L.Konovalov: 'bis(2-Aminothiazole)-dibromo-zinc(ii)', J.Coord.Chem., 1996, 38, 123.

 

54.       NIHTUT, K.Davarski, J.Macicek, and L.Konovalov: 'bis(2-Aminothiazole)-di-iodo-zinc(ii)', J.Coord.Chem., 1996, 38, 123.

 

55.       NIHVAB, K.Davarski, J.Macicek, and L.Konovalov: 'bis(2-Amino-6H-benzothiazole)-dibromo-zinc(ii)', J.Coord.Chem., 1996, 38, 123.

 

56.       TEHYOU, O.Angelova, J.Macicek, K.Kossev, and N.Koseva: 'Trimethyl-(2-(2-methyl-2-propenoyloxy)ethyl)ammonium iodide', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1996, 52, 2216.

http://dx.doi.org/10.1107/S0108270196002855

57.       ZUTPOT, O.Angelova, J.Macicek, R.Petrova, T.Todorov, and B.Mihailova: 'catena-(bis(mu2-Perrhenate)-bis(urea)-cadmium)', Z.Kristallogr., 1996, 211, 163.

 

58.       TEGQUR, R.Petrova, O.Angelova, and J.Macicek: 'catena-(bis(mu2-Perrhenate)-bis(thiourea)-cadmium)', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1996, 52, 1935.

http://dx.doi.org/10.1107/S010827019600412X

59.       TEGRAY, R.Petrova, O.Angelova, and J.Macicek: 'catena-bis((mu2-Perrhenate)-(mu2-thiourea)-perrhenate-thiourea-cadmium)', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1996, 52, 1935.

http://dx.doi.org/10.1107/S010827019600412X

60.       TEJZIR, R.Petrova, O.Angelova, S.Bakardjieva, and J.Macicek: 'bis(mu2-Oxo)-tetrakis(thiourea)-bis(trioxo)-cadmium-di-rhenium', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1996, 52, 2432.

http://dx.doi.org/10.1107/S0108270196007093

61.       RASQEH, R.Petrova, O.Angelova, and J.Macicek: 'hexakis(Thiourea)-cadmium bis(tetraoxo-rhenium) monohydrate', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1997, 53, 565.

http://dx.doi.org/10.1107/S0108270196015107

62.       CIHZAU, M.Khristov, P.Peshev, O.Angelova, R.Petrova, and J.Macicek: 'catena(hexakis(mu2-Trifluoroacetato-O,O')-tetra-aqua-tri-calcium)', Monatsh.Chem., 1998, 129, 1093.

 

63.       NILSEG, T.Todorov, R.Petrova, K.Kossev, J.Macicek, and O.Angelova: 'Aqua-(sulfato)-tetrakis(urea)-magnesium', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1998, 54, 456.

http://dx.doi.org/10.1107/S0108270197012912

64.       NUMYID, T.Todorov, R.Petrova, K.Kossev, J.Macicek, and O.Angelova: 'hexakis(Urea-O)-magnesium dichlorate', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1998, 54, 927.

http://dx.doi.org/10.1107/S0108270197018167

65.       SAVQAH, T.Todorov, R.Petrova, K.Kossev, J.Macicek, and O.Angelova: 'hexakis(Urea-O)-magnesium sulfate hemihydrate', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1998, 54, 1758.

http://dx.doi.org/10.1107/S0108270198007070

66.       SATCOG, B.Shivachev, R.Petrova, and E.Naydenova: '3-amino-1,3-diazaspiro(4.5)decane-2,4-dione', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 2005, 61, o524.

http://dx.doi.org/10.1107/S0108270105016033

67.       FAYCEO, B.Shivachev, R.Petrova, K.Kossev, and K.Troev: '(1-(2-Hydroxyethylammonio)propyl)phosphonate', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2005, 61, o134.

http://dx.doi.org/10.1107/S1600536804032623

68.       PANQOL, R.Petrova, B.Shivachev, K.Kosev, M.Stoyanova, and S.Angelova: 'rac-(3RS,4RS)-3-(2-Furyl)-2-(2-phenylethyl)-4-(pyrrolidin-1-ylcarbonyl)-3,4-dihydroisoquinolin-1(2H)-one', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2005, 61, o2248.

http://dx.doi.org/10.1107/S1600536805019239

69.       FOBNEQ, T.Kolev, D.Yancheva, B.Shivachev, R.Petrova, and M.Spiteller: '2-(3-Benzoyl-1-pyridinio)-3,4-dioxocyclobutenolate', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 2005, 61, o213.

http://dx.doi.org/10.1107/S0108270105003069

70.       YAMLII, T.Kolev, D.Yancheva, B.Shivachev, R.Petrova, and M.Spiteller: '2-(3-((E)-2-(3,4-Dimethoxyphenyl)ethenyl)-5,5-dimethylcyclohex-2-enylidene)malononitrile', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2005, 61, o550.

http://dx.doi.org/10.1107/S1600536805003016

71.       DATCEH01, T.Kolev, R.Bakalska, B.Shivachev, and R.Petrova: '6alpha-Acetoxy-4,5alpha-epoxy-3-methoxy-17-methylmorphin-7-ene', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2005, 61, o2582.

http://dx.doi.org/10.1107/S1600536805022129

72.       GENTOJ, B.Shivachev, R.Petrova, and E.Naydenova: '3-Amino-1,3-diazaspiro(4.5)decane-2,4-dione phenylboronic acid', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2006, 62, o3887.

http://dx.doi.org/10.1107/S1600536806031539

73.       UCOJUS, B.Shivachev, R.Petrova, M.Marinov, N.Stoyanov, A.Ahmedova, and M.Mitewa: '1,3-diazaspiro(4.4)nonane-2,4-dithione', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 2006, 62, o211.

http://dx.doi.org/10.1107/S0108270106003489

74.       UCOKAZ, B.Shivachev, R.Petrova, M.Marinov, N.Stoyanov, A.Ahmedova, and M.Mitewa: '1,3-diazaspiro(4.5)decane-2,4-dithione', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 2006, 62, o211.

http://dx.doi.org/10.1107/S0108270106003489

75.       UCOKED, B.Shivachev, R.Petrova, M.Marinov, N.Stoyanov, A.Ahmedova, and M.Mitewa: '1,3-diazaspiro(4.6)undecane-2,4-dithione', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 2006, 62, o211.

http://dx.doi.org/10.1107/S0108270106003489

76.       UCOKIH, B.Shivachev, R.Petrova, M.Marinov, N.Stoyanov, A.Ahmedova, and M.Mitewa: '1,3-diazaspiro(4.7)dodecane-2,4-dithione', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 2006, 62, o211.

http://dx.doi.org/10.1107/S0108270106003489

77.       NAHSQU01, N.Petrova, B.Shivachev, T.Kolev, and R.Petrova: 'catena-((mu4-2-hydroxy-3,4-dioxocyclobut-1-en-1-olato)-(mu2-aqua)-sodium)', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2006, 62, m1359.

http://dx.doi.org/10.1107/S160053680601806X

78.       JESVUZ, P.Todorov, E.Naydenova, R.Petrova, B.Shivachev, and K.Troev: '((4,4-Dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl)phosphonic acid', Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 2006, 62, o661.

http://dx.doi.org/10.1107/S0108270106041230

79.       MEBNOX, T.Kolev, R.Bakalska, B.Shivachev, and R.Petrova: '4,5alpha-epoxy-3-methoxy-17-methylmorphin-7-en-6-one', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2006, 62, o255.

http://dx.doi.org/10.1107/S1600536805039231

80.       XIFWEP, M.I.Kandinska, I.S.Todorov, B.Shivachev, and M.G.Bogdanov: 'trans-rac-2-Hexyl-1-oxo-3-(2-pyridyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2007, 63, o2544.

http://dx.doi.org/10.1107/S1600536807010562

81.       CIQKUJ, R.Petrova, R.Titorenkova, and B.Shivachev: 'Isoquinolin-1(2H)-one', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2007, 63, o4751.

http://dx.doi.org/10.1107/S1600536807057960

82.       CICMUX, T.Kolev, B.Shivachev, and R.Petrova: '4-Phenylpyridinium 3-carboxy-2,3-dihydroxypropanoate dihydrate', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2007, 63, o2511.

http://dx.doi.org/10.1107/S1600536807017217

83.       TIGKIE, T.Kolev, B.Shivachev, R.Petrova, I.Ivanov, S.Atanasova, and S.Statkova: '1,2,3,4-Tetrahydroisoquinolinium 2-hydroxy-3,4-dioxocyclobut-1-en-1-olate', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2007, 63, o3353.

http://dx.doi.org/10.1107/S1600536807030802

84.       SIHBOB, T.Kolev, D.Yancheva, B.Shivachev, and R.Petrova: '3,4-dioxo-2-(pyridinium-1-yl)cyclobut-1-enolate', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2007, 63, o3259.

http://dx.doi.org/10.1107/S1600536807028887

85.       CDMSOR05, G.Georgieva, G.Gencheva, B.L.Shivachev, and R.P.Nikolova: 'cis,fac-Dichloro-tetrakis(dimethyl sulfoxide-kappa3S,kappaO)-ruthenium(ii)', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2008, 64, m1023.

http://dx.doi.org/10.1107/S160053680801996X

86.       BOHLEQ, M.Atanassova, V.Lachkova, N.Vassilev, B.Shivachev, S.Varbanov, and I.Dukov: 'bis(4,4,4-Trifluoro-1-(thiophen-2-yl)butan-1,3-dionato)-tetrakis(ethanol)-europium(iii) chloride', Polyhedron, 2008, 27, 3306.

http://dx.doi.org/10.1016/j.poly.2008.07.015

87.       YIRFUB, P.Y.Petrov, M.Stoyanova, and B.Shivachev: '4-Methyl-1-phenylquinolin-2(1H)-one', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2008, 64, o72.

http://dx.doi.org/10.1107/S1600536807061727

88.       HOFROK, R.P.Nikolova, T.Kolev, S.M.Statkova-Abeghe, and B.L.Shivachev: '(+-)-Ethyl 6,7-dimethoxy-1-(1H-pyrrol-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2008, 64, o1796.

http://dx.doi.org/10.1107/S1600536808026020

89.       DOTHAW, B.Shivachev, P.Petrov, and M.Stoyanova: '4-methyl-6H-pyrido[3,2,1-jk]carbazol-6-one', J.Chem.Cryst., 2009, 39, 209.

http://dx.doi.org/10.1007/s10870-008-9459-y

90.       LULPEO, I.N.Pantcheva, P.Dorkov, V.N.Atanasov, M.Mitewa, B.L.Shivachev, R.P.Nikolova, H.Mayer-Figge, and W.S.Sheldrick: '(4-(2-(2-Ethyl-5'-(6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)-3'-methyloctahydro-2,2'-bifuran-5-yl)-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-3-methoxy-2-methylpentanoic acid)-sodium (methyl 4-(2-(2-ethyl-5'-(6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)-3'-methyloctahydro-2,2'-bifuran-5-yl)-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-3-methoxy-2-methylpentanoate)-sodium dichloro-copper(ii) chloride', J.Inorg.Biochem., 2009, 103, 1419.

http://dx.doi.org/10.1016/j.jinorgbio.2009.08.007

91.       LULPOY, I.N.Pantcheva, P.Dorkov, V.N.Atanasov, M.Mitewa, B.L.Shivachev, R.P.Nikolova, H.Mayer-Figge, and W.S.Sheldrick: 'bis((mu2-4-(2-(2-Ethyl-5'-(6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)-3'-methyloctahydro-2,2'-bifuran-5-yl)-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-3-methoxy-2-methylpentanoic acid)-sodium)-dichloro-copper(ii) acetonitrile solvate', J.Inorg.Biochem., 2009, 103, 1419.

http://dx.doi.org/10.1016/j.jinorgbio.2009.08.007

92.       YUMZOW, P.T.Todorov, R.N.Petrova, E.D.Naydenova, and B.L.Shivachev: '3-Amino-1,3-diazaspiro[4.6]undecane-2,4-dione', Central Eur.J.Chem., 2009, 7, 14.

http://dx.doi.org/10.2478/s11532-008-0087-3

93.       YUMZUC, P.T.Todorov, R.N.Petrova, E.D.Naydenova, and B.L.Shivachev: '3-Amino-1,3-diazaspiro[4.7]dodecane-2,4-dione', Central Eur.J.Chem., 2009, 7, 14.

http://dx.doi.org/10.2478/s11532-008-0087-3

94.       NAHBUV, B.Stamboliyska, V.Janevska, B.Shivachev, R.P.Nikolova, G.Stojkovic, B.Mikhova, and E.Popovski: '4-Amino-2H-chromen-2-one', ARKIVOC, 2010, 11, 62-10.

 

95.       TUNQID, M.D.Apostolova, R.P.Nikolova, and B.L.Shivachev: '(4-Carbamoylphenyl)boronic acid', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2010, 66, o1273.

http://dx.doi.org/10.1107/S1600536810014789

96.       ANUWOW, M.P.Stoyanova, S.E.Angelova, P.Y.Petrov, R.P.Nikolova, and B.L.Shivachev: '1'-Methyl-1-oxo-2-(pyridin-3-ylmethyl)-2,4-dihydro-1H-spiro[isoquinoline-3,4'-piperidine]-4-carboxylic acid tetrahydrate', ARKIVOC, 2010, 11, 303-302.

 

97.       HUDTUW, P.Todorov, E.Naydenova, R.P.Nikolova, and B.L.Shivachev: 'Ammonium hydrogen(RS)-[(5-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phosphonate', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2010, 66, o6.

http://dx.doi.org/10.1107/S1600536809050338

98.       OZIFEJ, I.Philipova, G.Stavrakov, A.Chimov, R.Nikolova, B.Shivachev, and V.Dimitrov: '2,2'-Dimethyl-N,N'-bis((1S,2R,3S,4R)-3-ethoxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)-N,N'-diethylferrocene-1,1'-dicarboxmide', Tetrahedron:Asymm., 2011, 22, 970.

http://dx.doi.org/10.1016/j.tetasy.2011.06.014

99.       OZIFIN, I.Philipova, G.Stavrakov, A.Chimov, R.Nikolova, B.Shivachev, and V.Dimitrov: '2-Methyl-N-((1R,2S,3R,5R)-2-ethoxy-6,6-dimethylbicyclo[3.1.1]heptan-3-yl)-N-ethylferrocenecarboxamide', Tetrahedron:Asymm., 2011, 22, 970.

http://dx.doi.org/10.1016/j.tetasy.2011.06.014

100.     KANSID, M.Gerova, R.Nikolova, B.Shivachev, and O.Petrov: '2-((2-Oxo-1,3-benzoxazol-3(2H)-yl)methyl)benzoic acid', Bulgarian Chemical Communications(Izvestiya po Khimiya), 2011, 43, 230.

 

101.     CASHIP, P.J.Gorolomova, R.P.Nikolova, B.L.Shivachev, V.I.Ilieva, D.T.Tsekova, T.D.Tosheva, E.S.Tashev, S.G.Varbanov, and G.G.Gencheva: '(1,4-Phenylenebis(oxymethylene))bis(dimethylphosphine) dioxide', Bulgarian Chemical Communications(Izvestiya po Khimiya), 2011, 43, 244.

 

102.     EVODAV, P.Todorov, M.Calmes, B.L.Shivachev, and R.P.Nikolova: '(R)-Methyl([(2-carboxybicyclo[2.2.2]octan-1-yl)ammonio]methyl)phosphonate dichloromethane solvate', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2011, 67, o2152.

http://dx.doi.org/10.1107/S1600536811029503

103.     CASHEL, S.Stanchev, R.P.Nikolova, B.L.Shivachev, and I.Manolov: 'Ethyl 2-(4-hydroxybenzylidene)-3-oxobutanoate', Bulgarian Chemical Communications(Izvestiya po Khimiya), 2011, 43, 316.

 

104.     QEFQOJ, G.M.Dobrikov, I.Philipova, R.Nikolova, B.Shivachev, A.Chimov, and V.Dimitrov: '2-(2-(dimethylamino)methyl-ferrocenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol', Polyhedron, 2012, 45, 126.

http://dx.doi.org/10.1016/j.poly.2012.06.090

105.     QEFQUP, G.M.Dobrikov, I.Philipova, R.Nikolova, B.Shivachev, A.Chimov, and V.Dimitrov: '(3R,4R,pS)-3-(2-(N,N-dimethylaminomethyl)ferrocen-yl)-4,7,7-trimethyl-1',3'-dihydrospiro[bicyclo[2.2.1]heptane-2,2'-inden]-3-ol', Polyhedron, 2012, 45, 126.

http://dx.doi.org/10.1016/j.poly.2012.06.090

106.     LAWVUC, P.T.Todorov, N.D.Pavlov, B.L.Shivachev, R.N.Petrova, J.Martinez, E.D.Naydenova, and M.Calmes: '1-((hydroxy(methoxy)phosphoryl)methyl)amino-bicyclo[2.2.2]octane-2-carboxylic acid', Heteroat.Chem., 2012, 23, 123.

http://dx.doi.org/10.1002/hc.20759

107.     LAWWAJ, P.T.Todorov, N.D.Pavlov, B.L.Shivachev, R.N.Petrova, J.Martinez, E.D.Naydenova, and M.Calmes: '(2R,1'R)(2S,1'S)-1-(N-dimethoxyphosphono(1'-phenyl)methyl)-aminobicyclo[2.2.2]octane-2-carboxylic acid', Heteroat.Chem., 2012, 23, 123.

http://dx.doi.org/10.1002/hc.20759

108.     LAWWEN, P.T.Todorov, N.D.Pavlov, B.L.Shivachev, R.N.Petrova, J.Martinez, E.D.Naydenova, and M.Calmes: '(2R,1,R)/(2R,1,S)1-(N-dimethoxyphosphono(1'-phenyl)methyl)aminobicyclo[2.2.2]octane-2-carboxylic acid', Heteroat.Chem., 2012, 23, 123.

http://dx.doi.org/10.1002/hc.20759

109.     RAWQIR, P.T.Todorov, R.P.Nikolova, E.D.Naydenova, and B.L.Shivachev: '1-(9H-Fluoren-9-yl)urea', J.Chem.Cryst., 2012, 42, 566.

http://dx.doi.org/10.1007/s10870-012-0280-2

110.     RAWQOX, P.T.Todorov, R.P.Nikolova, E.D.Naydenova, and B.L.Shivachev: '2'H,5'H-Spiro-(fluorene-9,4'-imidazolidine)-2',5'-dione', J.Chem.Cryst., 2012, 42, 566.

http://dx.doi.org/10.1007/s10870-012-0280-2

111.     LEDVOH, V.Dyulgerov, R.P.Nikolova, L.T.Dimova, and B.L.Shivachev: '3-(Dihydroxyboryl)benzoic acid 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione', Acta Crystallogr.,Sect.E:Struct.Rep.Online, 2012, 68, o2320.

http://dx.doi.org/10.1107/S1600536812029467

 

*data for ICSD #36555


Coll Code 36555
Rec Date 1992/08/20
Chem Name Beryllium Dihydrogen Iodate Hexahydrate
Structured Be (I O3)2 (H I O3)2 (H2 O)6
Sum H14 Be1 I4 O18
ANX AB4X18
D(calc) 3.3
Title Structure of Be(IO3)2*2HIO3*6H2O
Author(s) Macicek, J.;Maneva-Petrova, M.;Georgiev, M.
Reference Zeitschrift fuer Kristallographie (149,1979-)
(1992), 199, 177-184
Unit Cell 7.842(1) 8.613(1) 24.407(2) 90. 90. 90.
Vol 1648.53
Z 4
Space Group P n a m
SG Number 62
Cryst Sys orthorhombic
Pearson oP148
Wyckoff d10 c3
R Value 0.03
Red Cell P 7.842 8.613 24.407 90 90 90 1648.526
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-076-2057
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
Multiple transformations possible, first one selected
REMARK Transformed from setting P n a m.
TRANS a,-c,b origin 1/2 1/2 1/2
Std. Cell 7.842 24.407 8.613 90 90 90
Std. Vol. 1648.53
Std. Z 4
Std. SG PNMA

*end for ICSD #36555


*data for ICSD #59265


Coll Code 59265
Rec Date 1999/01/19
Chem Name Hexakis(thiourea)cadmium Bis(rhenate(VII)) Hydrate
Structured (Cd (S C (N H2)2)6) (Re O4)2 (H2 O)
Sum C6 H26 Cd1 N12 O9 Re2 S6
ANX AB2C6X6Y9Z12
D(calc) 2.44
Title Molecular adducts of inorganic salts. VII. Cadmium tetraoxorhenium
hexakis(thiourea) hydrate
Author(s) Petrova, R.;Angelova, O.;Macicek, J.
Reference Acta Crystallographica C (39,1983-)
(1997), 53, 565-568
Unit Cell 15.543(2) 14.025(1) 14.676(5) 90. 112.42(2) 90.
Vol 2957.41
Z 4
Space Group C 1 2/c 1
SG Number 15
Cryst Sys monoclinic
Pearson mS248
Wyckoff f17 e d
R Value 0.068
Red Cell C 10.467 10.467 14.676 73.551 73.551 84.122 1478.705
Trans Red -0.500 0.500 0.000 / -0.500 -0.500 0.000 / 0.000 0.000 1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-087-0431
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
Std. Cell 15.543 14.025 14.676 90 112.42 90
Std. Vol. 2957.41
Std. Z 4
Std. SG C12/C1
Std. Atom

*end for ICSD #59265


*data for ICSD #59358


Coll Code 59358
Rec Date 1999/06/02
Chem Name Hexakis(urea)magnesium Sulfate(VI) Hemihydrate
Structured (Mg (O C (N H2)2)6) (S O4) (H2 O)0.5
Sum C6 H25 Mg1 N12 O10.5 S1
ANX A2B2C12X21Y24
D(calc) 1.48
Title Magnesium Sulfate Hexaurea Hemihydrate
Author(s) Todorov, T.;Petrova, R.;Kossev, K.;Macicek, J.;Angelova, O.
Reference Acta Crystallographica C (39,1983-)
(1998), 54, 1758-1760
Unit Cell 15.316(5) 19.7980(50) 14.484(2) 90. 90. 90.
Vol 4391.93
Z 8
Space Group P c c n
SG Number 56
Cryst Sys orthorhombic
Pearson oP444
Wyckoff e30 c
R Value 0.05
Red Cell P 14.484 15.316 19.798 90 90 90 4391.928
Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-087-0524
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
Std. Cell 15.316 19.798 14.484 90 90 90
Std. Vol. 4391.93
Std. Z 8
Std. SG PCCN
Std. Atom

*end for ICSD #59358


*data for ICSD #59363


Coll Code 59363
Rec Date 1999/06/02
Chem Name Aquasulphato(VI)tetrakis(urea)magnesium
Structured (Mg (O C (N H2)2)4 (S O4) (H2 O))
Sum C4 H18 Mg1 N8 O9 S1
ANX ABC4X8Y9
D(calc) 1.63
Title Magnesium sulfate tetraurea monohydrate
Author(s) Todorov, T.;Petrova, R.;Kossev, K.;Macicek, J.;Angelova, O.
Reference Acta Crystallographica C (39,1983-)
(1998), 54, 456-458
Unit Cell 9.345(2) 14.683(4) 11.244(3) 90. 93.07(2) 90.
Vol 1540.6
Z 4
Space Group P 1 21/n 1
SG Number 14
Cryst Sys monoclinic
Pearson mP164
Wyckoff e23
R Value 0.03
Red Cell P 9.345 11.244 14.683 89.999 89.999 93.07 1540.605
Trans Red 1.000 0.000 0.000 / 0.000 0.000 1.000 / 0.000 -1.000 0.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-087-0529
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
REMARK Transformed from setting P 1 21/n 1.--> P 21/c
TRANS -a,-b,a+c
Std. Cell 9.345 14.683 14.2303 90 127.907 90
Std. Vol. 1540.6
Std. Z 4
Std. SG P121/C1
Std. Atom

*end for ICSD #59363


*data for ICSD #59368


Coll Code 59368
Rec Date 1999/06/02
Chem Name Dineodymium Tris(diselenate(IV)) - Selenous Acid - Hydrate (1/1/2)
Structured (Nd2 (Se2 O5)3) (H2 Se O3) (H2 O)2
Sum H6 Nd2 O20 Se7
ANX A2B7X20
D(calc) 4.25
Title Neodymium diselenite selenious acid dihydrate - structure and
conformation of the Se2 O5 group
Author(s) Stancheva, M.;Petrova, R.;Macicek, J.
Reference Acta Crystallographica C (39,1983-)
(1998), 54, 699-701
Unit Cell 10.665(5) 7.219(2) 23.6620(30) 90. 90. 90.
Vol 1821.75
Z 4
Space Group P n a 21
SG Number 33
Cryst Sys orthorhombic
Pearson oP140
Wyckoff a29
R Value 0.028
Red Cell P 7.219 10.665 23.662 89.999 89.999 90 1821.752
Trans Red 0.000 1.000 0.000 / 1.000 0.000 0.000 / 0.000 0.000 -1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-087-0534
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
TRANS -x,-y,-z
Std. Cell 10.665 7.219 23.662 90 90 90
Std. Vol. 1821.75
Std. Z 4
Std. SG PNA21
Std. Atom

*end for ICSD #59368


*data for ICSD #59383


Coll Code 59383
Rec Date 1999/06/02
Chem Name Hexakis(urea)magnesium Bis(chlorate(V))
Structured (Mg (O C (N H2)2)6) (Cl O3)2
Sum C6 H24 Cl2 Mg1 N12 O12
ANX AB2C6X12Y12
D(calc) 1.68
Title Hexakis(urea-O)magnesium dichlorate
Author(s) Todorov, T.;Petrova, R.;Kossev, K.;Macicek, J.;Angelova, O.
Reference Acta Crystallographica C (39,1983-)
(1998), 54, 927-929
Unit Cell 10.435(2) 7.312(3) 14.596(2) 90. 101.29(2) 90.
Vol 1092.13
Z 2
Space Group P 1 21/n 1
SG Number 14
Cryst Sys monoclinic
Pearson mP114
Wyckoff e16 a
R Value 0.04
Red Cell P 7.312 10.435 14.596 101.29 90 90 1092.134
Trans Red 0.000 -1.000 0.000 / -1.000 0.000 0.000 / 0.000 0.000 -1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-087-0549
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
REMARK Transformed from setting P 1 21/n 1.--> P 21/c
TRANS -a,-b,a+c origin 0 1/2 1/2
Std. Cell 10.435 7.312 16.1955 90 117.896 90
Std. Vol. 1092.13
Std. Z 2
Std. SG P121/C1
Std. Atom

*end for ICSD #59383


*data for ICSD #69572


Coll Code 69572
Rec Date 1992/08/20
Chem Name Hexaaquamagnesium Tetrachlorozincate
Structured (Mg (H2 O)6) (Zn Cl4)
Sum H12 Cl4 Mg1 O6 Zn1
ANX ABX4Y6
D(calc) 1.85
Title Structure of magnesium zinc tetrachloride hexahydrate MgZnCl4 . 6H2O
Author(s) Duhlev, R.;Macicek, J.
Reference Acta Crystallographica C (39,1983-)
(1991), 47, 1573-1575
Unit Cell 6.562(1) 6.597(1) 14.101(1) 88.63(1) 89.43(1) 84.83(1)
Vol 607.75
Z 2
Space Group P -1
SG Number 2
Cryst Sys triclinic
Pearson aP48
Wyckoff i11 b a
R Value 0.029
Red Cell P 6.562 6.597 14.101 88.63 89.43 84.83 607.75
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-080-1737
Temperature in Kelvin: 290
Temperature factors available
X-ray diffraction from single crystal
Position of 24 Elements of H Are Undetermined.

Std. Notes Transformation Method: Tidy
Std. Cell 6.562 6.597 14.101 88.63 89.43 84.83
Std. Vol. 607.75
Std. Z 2
Std. SG P1-
Std. Atom


*end for ICSD #69572


*data for ICSD #66754


Coll Code 66754
Rec Date 1995/10/17
Mod Date 2009/02/01
Chem Name Lead Bis(rhenate(VII)) - Urea - Water (1/1/1)
Structured (Pb (Re O4)2) ((N H2)2 C O) (H2 O)
Sum C1 H6 N2 O10 Pb1 Re2
ANX ABC2X2Y10
D(calc) 4.84
Title Structures of molecular adducts of inorganic salts. I. Pb (Re O4)2 *
urea * H2 O and Ba (Re O4)2 * 3 urea
Author(s) Macicek, J.;Angelova, O.;Petrova, R.
Reference Zeitschrift fuer Kristallographie (149,1979-)
(1995), 210, 24-30
Unit Cell 10.284(2) 7.389(1) 14.402(8) 90. 99.72(2) 90.
Vol 1078.68
Z 4
Space Group P 1 21/c 1
SG Number 14
Cryst Sys monoclinic
Pearson mP88
Wyckoff e16
R Value 0.03
Red Cell P 7.389 10.284 14.402 99.72 90 90 1078.676
Trans Red 0.000 -1.000 0.000 / -1.000 0.000 0.000 / 0.000 0.000 -1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-079-1739
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
TRANS Origin 0 1/2 0
Std. Cell 10.284 7.389 14.402 90 99.72 90
Std. Vol. 1078.68
Std. Z 4
Std. SG P121/C1
Std. Atom

*end for ICSD #66754


*data for ICSD #66755


Coll Code 66755
Rec Date 1995/10/17
Chem Name Barium Bis(rhenate(VII)) - Urea (1/3)
Structured (Ba (Re O4)2) ((N H2)2 C O)3
Sum C3 H12 Ba1 N6 O11 Re2
ANX AB2C3X6Y11
D(calc) 3.42
Title Structures of molecular adducts of inorganic salts. I. Pb(ReO4)2 .
urea . H2O and Ba(ReO4)2 . 3 urea
Author(s) Macicek, J.;Angelova, O.;Petrova, R.
Reference Zeitschrift fuer Kristallographie (149,1979-)
(1995), 210, 24-30
Unit Cell 13.703(3) 7.828(3) 14.865(2) 90. 94.55(2) 90.
Vol 1589.5
Z 4
Space Group P 1 21/c 1
SG Number 14
Cryst Sys monoclinic
Pearson mP140
Wyckoff e23
R Value 0.03
Red Cell P 7.828 13.703 14.865 94.55 90 90 1589.5
Trans Red 0.000 -1.000 0.000 / -1.000 0.000 0.000 / 0.000 0.000 -1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-079-1740
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
TRANS Origin 1/2 1/2 0
Std. Cell 13.703 7.828 14.865 90 94.55 90
Std. Vol. 1589.5
Std. Z 4
Std. SG P121/C1
Std. Atom

*end for ICSD #66755


*data for ICSD #71542


Coll Code 71542
Rec Date 1993/01/06
Mod Date 2011/02/01
Chem Name Barium Bis(rhenate(VII)) Tetrahydrate
Structured Ba (Re O4)2 (H2 O)4
Sum H8 Ba1 O12 Re2
ANX AB2X12
D(calc) 4.22
Title Structure of barium perrhenate tetrahydrate
Author(s) Macicek, J.;Todorov, T.
Reference Acta Crystallographica C (39,1983-)
(1992), 48, 599-603
Unit Cell 7.376(2) 12.452(2) 12.173(1) 90. 90.04(1) 90.
Vol 1118.04
Z 4
Space Group P 1 21/n 1
SG Number 14
Cryst Sys monoclinic
Pearson mP92
Wyckoff e15
R Value 0.038
Red Cell P 7.376 12.173 12.452 89.999 89.999 90.04 1118.041
Trans Red 1.000 0.000 0.000 / 0.000 0.000 1.000 / 0.000 -1.000 0.000
Comments AE: Ba: 6p3c1c' O10; Re1,2: 4t O4; O1,2,4-7: 2n Ba Re; O3:
2n Ba Re (+1H-bond, 3l); O8: Re (+2H-bonds, 3l); O9-11: 3n
Ba H2 (+1H-bond, 4t); O12: 2n H2 (+2H-bonds, 4t)
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-081-0206
Temperature in Kelvin: 292
Temperature factors available
Structure type : Ba(ReO4)2(H2O)4
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
REMARK Transformed from setting P 1 21/n 1.--> P 21/c
TRANS -a,-b,a+c origin 1/2 0 1/2
Std. Cell 7.376 12.452 14.2289 90 121.184 90
Std. Vol. 1118.04
Std. Z 4
Std. SG P121/C1
Std. Atom

*end for ICSD #71542


*data for ICSD #75225


Coll Code 75225
Rec Date 1995/10/17
Mod Date 2012/02/01
Chem Name Potassium Magnesium Hydrogenbis(sulfate(VI)) Dihydrate
Structured K Mg (H (S O4)2) (H2 O)2
Sum H5 K1 Mg1 O10 S2
ANX ABC2X10
D(calc) 2.34
Title A short dynamically symmetrical hydrogen bond in the structure of K
(Mg (H0.5 S O4)2 (H2 O)2)
Author(s) Macicek, J.;Gradinarov, S.;Bontchev, R.;Balarew, C.
Reference Acta Crystallographica C (39,1983-)
(1994), 50, 1185-1188
Unit Cell 4.657(1) 5.743(1) 8.214(1) 104.02(2) 99.94(2) 95.06(2)
Vol 207.99
Z 1
Space Group P -1
SG Number 2
Cryst Sys triclinic
Pearson aP19
Wyckoff i6 b a
R Value 0.026
Red Cell P 4.657 5.743 8.214 104.02 99.94 95.06 207.989
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments AE: K: 8p2c' O10; Mg: 6o O6; S: 4t O4; O1: 4t K2 S H.5; O2:
3l K Mg S; O3: 2n K S (+2H-bonds, 4t); O4: 2n Mg S; O5: 4t
K Mg H2; O1-H3-O1'=2.48
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-082-1160
Structure type prototype : KMgH(SO4)2(H2O)2
Temperature in Kelvin: 292
Temperature factors available
Structure type : KMgH(SO4)2(H2O)2
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
TRANS Origin 0 1/2 1/2
Std. Cell 4.657 5.743 8.214 104.02 99.94 95.06
Std. Vol. 207.99
Std. Z 1
Std. SG P1-
Std. Atom

*end for ICSD #75225


*data for ICSD #79119


Coll Code 79119
Rec Date 1996/04/22
Chem Name Calcium Bis(rhenate(VII)) Urea Water (1/1/1)
Structured (Ca (Re O4)2) (O C (N H2)2) (H2 O)
Sum C1 H6 Ca1 N2 O10 Re2
ANX ABC2X2Y10
D(calc) 3.78
Title Structures of molecular adducts of inorganic salts. II. Ca (Re O4)2.
Urea . H2 O
Author(s) Macicek, J.;Angelova, O.;Petrova, R.
Reference Zeitschrift fuer Kristallographie (149,1979-)
(1995), 210, 319-322
Unit Cell 7.322(2) 9.088(3) 9.175(1) 111.67(1) 91.26(1) 104.89(2)
Vol 543.66
Z 2
Space Group P -1
SG Number 2
Cryst Sys triclinic
Pearson aP44
Wyckoff i16
R Value 0.031
Red Cell P 7.322 9.088 9.175 111.67 91.26 104.89 543.663
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-083-0038
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
TRANS Origin 0 1/2 0
Std. Cell 7.322 9.088 9.175 111.67 91.26 104.89
Std. Vol. 543.66
Std. Z 2
Std. SG P1-
Std. Atom

*end for ICSD #79119


*data for ICSD #79692


Coll Code 79692
Rec Date 1996/10/14
Chem Name Barium Bis(rhenate(VII)) Hydrate
Structured Ba (Re O4)2 (H2 O)
Sum H2 Ba1 O9 Re2
ANX AB2X9
D(calc) 5.18
Title Barium perrhenate monohydrate
Author(s) Todorov, T.;Macicek, J.
Reference Acta Crystallographica C (39,1983-)
(1995), 51, 1034-1038
Unit Cell 7.288(1) 7.514(1) 15.441(1) 90.08(1) 95.90(1) 90.45(1)
Vol 841.07
Z 4
Space Group P -1
SG Number 2
Cryst Sys triclinic
Pearson aP56
Wyckoff i24
R Value 0.053
Red Cell P 7.288 7.514 15.441 90.08 95.9 90.45 841.073
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-083-0596
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
Std. Cell 7.288 7.514 15.441 90.08 95.9 90.45
Std. Vol. 841.07
Std. Z 4
Std. SG P1-
Std. Atom

*end for ICSD #79692


*data for ICSD #79828


Coll Code 79828
Rec Date 1996/10/14
Mod Date 2009/08/01
Chem Name Lead Antimony Sulfide Chloride (12.65/11.35/28.35/2.65)
Structured Pb12.65 Sb11.35 S28.35 Cl2.65
Sum Cl2.65 Pb12.65 S28.35 Sb11.35
ANX A10B14XY30
Min Name Dadsonite
D(calc) 6.02
Title Crystal structure of synthetic Pb12.65 Sb11.35 S28.35 Cl2.65 - a new
view of the crystal chemistry of chlorine-bearing lead-antimony
sulphosalts
Author(s) Kostov, V.V.;Macicek, J.
Reference European Journal of Mineralogy (1,1989-)
(1995), 7, 1007-1018
Unit Cell 19.512(12) 4.052(3) 35.134(17) 90. 96.34(5) 90.
Vol 2760.8
Z 2
Space Group I 1 2/m 1
SG Number 12
Cryst Sys monoclinic
Pearson mS110
Wyckoff i27 d
R Value 0.033
Red Cell I 4.052 19.236 19.512 113.974 89.999 96.045 1380.399
Trans Red 0.000 -1.000 0.000 / -0.500 0.500 -0.500 / 1.000 0.000 0.000
Comments Cl distributed on sites with lowest bond valence
Compound with mineral name: Dadsonite
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-083-0731
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
REMARK Transformed from setting I 1 2/m 1.--> C 2/m
TRANS -a-c,b,a origin 0 1/2 1/2
Std. Cell 38.2585 4.052 19.512 90 114.117 90
Std. Vol. 2760.79
Std. Z 2
Std. SG C12/M1
Std. Atom

*end for ICSD #79828


*data for ICSD #81235


Coll Code 81235
Rec Date 1997/11/05
Chem Name Lead Bis(rhenate(VII)) - Thiourea - Water(3/2/2)
Structured (Pb (Re O4)2)3 (S C (N H2)2)2 (H2 O)2
Sum C2 H12 N4 O26 Pb3 Re6 S2
ANX A2B3C6X2Y4Z26
D(calc) 5.04
Title Molecular adducts of inorganic salts.III. Non-centrosymmetric 3 (Pb
(Re O4)2) . 2 (tu) . 2(H2 O) (tu = thiourea)
Author(s) Macicek, J.;Angelova, O.
Reference Acta Crystallographica C (39,1983-)
(1995), 51, 2539-2542
Unit Cell 16.2080(20) 16.2080(20) 5.800(2) 90. 90. 90.
Vol 1523.66
Z 2
Space Group P -4 21 m
SG Number 113
Cryst Sys tetragonal
Pearson tP110
Wyckoff f7 e7 a
R Value 0.041
Red Cell P 5.8 16.208 16.208 90 90 90 1523.656
Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-086-0537
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

TRANS -x,-y,-z origin 1/2 1/2 0
Std. Cell 16.208 16.208 5.8 90 90 90
Std. Vol. 1523.66
Std. Z 2
Std. SG P4-21M
Std. Atom

*end for ICSD #81235


*data for ICSD #82394


Coll Code 82394
Rec Date 1997/11/10
Chem Name Cadmium Bis(rhenate(VII)) - Thiourea (1/4)
Structured (Cd (Re O4)2) (C S (N H2)2)4
Sum C4 H16 Cd1 N8 O8 Re2 S4
ANX AB2C4X4Y8Z8
D(calc) 2.89
Title Molecular adducts of inorganic salts.VII. Cd (Re O4)2 . 4tu (tu =
thiourea)
Author(s) Petrova, R.;Angelova, O.;Bakardjieva, S.;Macicek, J.
Reference Acta Crystallographica C (39,1983-)
(1996), 52, 2432-2434
Unit Cell 7.016(2) 13.603(2) 11.551(2) 90. 107.16(1) 90.
Vol 1053.34
Z 2
Space Group P 1 21/c 1
SG Number 14
Cryst Sys monoclinic
Pearson mP86
Wyckoff e13 a
R Value 0.024
Red Cell P 7.016 11.551 13.603 89.999 89.999 107.16 1053.337
Trans Red 1.000 0.000 0.000 / 0.000 0.000 1.000 / 0.000 -1.000 0.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-086-1300
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
TRANS Origin 1/2 1/2 0
Std. Cell 7.016 13.603 11.551 90 107.16 90
Std. Vol. 1053.34
Std. Z 2
Std. SG P121/C1
Std. Atom

*end for ICSD #82394


*data for ICSD #83327


Coll Code 83327
Rec Date 1998/06/26
Chem Name Cadmium Bis(rhenate(VII)) Dihydrate
Structured Cd (Re O4)2 (H2 O)2
Sum H4 Cd1 O10 Re2
ANX AB2X10
D(calc) 5.12
Title Structure of molecular adducts of inorganic salts.IV.Comparison of
the Cd (Re O4)2 . 2 (Urea) and Cd (Re O4)2 . 2(H2 O) structures
Author(s) Angelova, O.;Macicek, J.;Petrova, R.;Todorov, T.;Mihailova, B.
Reference Zeitschrift fuer Kristallographie (149,1979-)
(1996), 211, 163-169
Unit Cell 7.828(1) 8.631(1) 13.863(1) 73.34(1) 89.39(1) 70.42(1)
Vol 841.63
Z 4
Space Group P -1
SG Number 2
Cryst Sys triclinic
Pearson aP68
Wyckoff i26
R Value 0.041
Red Cell P 7.828 8.631 13.863 73.34 89.39 70.42 841.632
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-087-1587
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
TRANS Origin 0 1/2 0
Std. Cell 7.828 8.631 13.863 73.34 89.39 70.42
Std. Vol. 841.63
Std. Z 4
Std. SG P1-
Std. Atom

*end for ICSD #83327


*data for ICSD #83328


Coll Code 83328
Rec Date 1998/06/26
Chem Name Cadmium Bis(rhenate(VII)) - Urea (1/2)
Structured (Cd (Re O4)2) ((N H2)2 C O)2
Sum C2 H8 Cd1 N4 O10 Re2
ANX AB2C2X4Y10
D(calc) 4.14
Title Structure of molecular adducts of inorganic salts.IV.Comparison of
the Cd (Re O4)2 . 2 (Urea) and Cd (Re O4)2 . 2(H2 O) structures
Author(s) Angelova, O.;Macicek, J.;Petrova, R.;Todorov, T.;Mihailova, B.
Reference Zeitschrift fuer Kristallographie (149,1979-)
(1996), 211, 163-169
Unit Cell 15.185(3) 10.257(2) 7.561(5) 90. 93.69(2) 90.
Vol 1175.2
Z 4
Space Group P 1 21/c 1
SG Number 14
Cryst Sys monoclinic
Pearson mP108
Wyckoff e19
R Value 0.032
Red Cell P 7.561 10.257 15.185 89.999 93.69 89.999 1175.204
Trans Red 0.000 0.000 1.000 / 0.000 -1.000 0.000 / 1.000 0.000 0.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-087-1588
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
TRANS Origin 0 1/2 1/2
Std. Cell 15.185 10.257 7.561 90 93.69 90
Std. Vol. 1175.2
Std. Z 4
Std. SG P121/C1
Std. Atom

*end for ICSD #83328


*data for ICSD #83343


Coll Code 83343
Rec Date 1998/06/26
Chem Name Strontium Bis(rhenate(VII)) - Urea - Water (2/3/2)
Structured (Sr (Re O4)2)2 ((N H2)2 C O)3 (H2 O)2
Sum C3 H16 N6 O21 Re4 Sr2
ANX A2B3C4X6Y21
D(calc) 3.62
Title Structures of molecular adducts of inorganic salts. V. Non-
centrosymmetric 2(Sr (Re O4)2) . 3 Urea . 2(H2 O)
Author(s) Angelova, O.;Macicek, J.
Reference Zeitschrift fuer Kristallographie (149,1979-)
(1996), 211, 513-517
Unit Cell 19.3860(20) 34.2290(40) 7.697(2) 90. 90. 90.
Vol 5107.45
Z 8
Space Group F d d 2
SG Number 43
Cryst Sys orthorhombic
Pearson oF416
Wyckoff b17 a2
R Value 0.023
Red Cell F 7.697 10.429 17.541 85.356 77.326 68.344 1276.862
Trans Red 0.000 0.000 1.000 / 0.500 0.000 0.500 / 0.000 0.500 0.500
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-087-1603
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

Std. Notes Transformation Method: Tidy
TRANS 1/4-x,1/4-y,1/4-z
Std. Cell 19.386 34.229 7.697 90 90 90
Std. Vol. 5107.45
Std. Z 8
Std. SG FDD2
Std. Atom

*end for ICSD #83343


*data for ICSD #83637


Coll Code 83637
Rec Date 1998/06/26
Chem Name Strontium Bis(rhenate(VII)) Dihydrate
Structured Sr (Re O4)2 (H2 O)2
Sum H4 O10 Re2 Sr1
ANX AB2X10
D(calc) 4.54
Title The covert water in the structure of Sr (Re O4)2 . 2(H2 O) : a
revision of the sesquihydrate model
Author(s) Todorov, T.;Angelova, O.;Macicek, J.
Reference Acta Crystallographica C (39,1983-)
(1996), 52, 1319-1323
Unit Cell 13.298(2) 10.080(2) 13.637(4) 90. 92.39(2) 90.
Vol 1826.37
Z 8
Space Group P 1 21/n 1
SG Number 14
Cryst Sys monoclinic
Pearson mP136
Wyckoff e29
R Value 0.038
Red Cell P 10.08 13.298 13.637 92.39 90 90 1826.366
Trans Red 0.000 -1.000 0.000 / -1.000 0.000 0.000 / 0.000 0.000 -1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-087-1893
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal
Position of 32 Elements of H Are Undetermined.

Std. Notes Transformation Method: Tidy
REMARK Transformed from setting P 1 21/n 1.--> P 21/c
TRANS -a,-b,a+c origin 0 1/2 0
Std. Cell 13.298 10.08 18.6462 90 133.053 90
Std. Vol. 1826.37
Std. Z 8
Std. SG P121/C1
Std. Atom

*end for ICSD #83637


*data for ICSD #83820


Coll Code 83820
Rec Date 1999/01/19
Mod Date 2000/07/15
Chem Name Lead Antimony Sulfide Chloride (4.32/3.68/8.68/2.32)
Structured Pb4.32 Sb3.68 S8.68 Cl2.32
Sum Cl2.32 Pb4.32 S8.68 Sb3.68
ANX A4B4XY10
D(calc) 5.93
Title Crystal structure of synthetic Pb4.32 Sb3.68 S8.68 Cl2.32. A chlorine-
bearing alternative to Pb4 Sb4 S11
Author(s) Kostov-Kytin, V.V.;Petrova, R.;Macicek, J.
Reference European Journal of Mineralogy (1,1989-)
(1997), 9, 1191-1197
Unit Cell 15.04(4) 15.51(3) 4.09(1) 90. 90. 90.
Vol 954.08
Z 2
Space Group P b a m
SG Number 55
Cryst Sys orthorhombic
Pearson oP38
Wyckoff h4 g5 b
R Value 0.039
Red Cell P 4.09 15.04 15.51 90 90 90 954.076
Trans Red 0.000 0.000 1.000 / 1.000 0.000 0.000 / 0.000 1.000 0.000
Comments x(S2) was misprinted as .1678, cf. 200601
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-087-2069
The structure has been assigned a PDF number (experimental
powder diffraction data): 35-382
Temperature factors available
X-ray diffraction from single crystal
The coordinates given in the paper contain an error. The
values in the database have been corrected.

*end for ICSD #83820


*data for ICSD #84684


Coll Code 84684
Rec Date 1999/01/19
Mod Date 2002/04/01
Chem Name Ammonium Nickel Tribromide Hexahydrate
Structured (N H4 Br) (Ni Br2) (H2 O)6
Sum H16 Br3 N1 Ni1 O6
ANX AXY3Z6
D(calc) 2.21
Title The double salts (Me(+) Br) . (Me(2+) Br2) . 6(H2 O) (Me(+) = K, N
H4, Rb; Me(2+) = Co, Ni)
Author(s) Tepavitcharova, S.;Macicek, J.;Balarew, C.;Tzvetkova, C.;Angelova, O.
Reference Journal of Solid State Chemistry
(1997), 129, 200-205
Unit Cell 9.574(2) 9.756(2) 13.668(2) 90. 90.10(2) 90.
Vol 1276.64
Z 4
Space Group C 1 2/c 1
SG Number 15
Cryst Sys monoclinic
Pearson mS108
Wyckoff f4 e b a
R Value 0.05
Red Cell C 6.834 6.834 13.668 90.070 90.070 91.078 638.322
Trans Red 0.500 -0.500 0.000 / 0.500 0.500 0.000 / 0.000 0.000 1.000
Comments Cell of (K Br) (Ni Br2) (H2 O)6: 9.509, 9.693, 13.579,
90.06
Cell of (Rb Br) (Co Br2) (H2 O)6: 9.616, 9.832, 13.743,
90.09
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-088-0387
The structure has been assigned a PDF number (experimental
powder diffraction data): 45-193
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

*end for ICSD #84684


*data for ICSD #170223


Coll Code 170223
Rec Date 2006/04/01
Chem Name Bisthiourea Cadmium Perrhenate
Structured (S C (N H2)2)2 Cd (Re O4)2
Sum C2 H8 Cd1 N4 O8 Re2 S2
ANX AB2C2X2Y4Z8
D(calc) 3.6
Title Molecular adducts of inorganic salts. VI. The dimorphism of Cd (Re
O4)2.2tu (tu = thiourea)
Author(s) Petrova, R.;Angelova, O.;Macicek, J.
Reference Acta Crystallographica C (39,1983-)
(1996), 52, 1935-1939
Unit Cell 5.935(4) 11.3580(10) 10.490(2) 90 94.660(10) 90
Vol 704.79
Z 2
Space Group P 1 21/c 1
SG Number 14
Cryst Sys monoclinic
Pearson mP54
Wyckoff e9 a
R Value 0.038
Red Cell P 5.935 10.49 11.358 89.999 89.999 94.66 704.791
Trans Red 1.000 0.000 0.000 / 0.000 0.000 1.000 / 0.000 -1.000 0.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-073-3249
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

*end for ICSD #170223


*data for ICSD #170224


Coll Code 170224
Rec Date 2006/04/01
Chem Name Bisthiourea Cadmium Perrhenate
Structured (S C (N H2)2)2 Cd (Re O4)2
Sum C2 H8 Cd1 N4 O8 Re2 S2
ANX AB2C2X2Y4Z8
D(calc) 3.69
Title Molecular adducts of inorganic salts. VI. The dimorphism of Cd (Re
O4)2.2tu (tu = thiourea)
Author(s) Petrova, R.;Angelova, O.;Macicek, J.
Reference Acta Crystallographica C (39,1983-)
(1996), 52, 1935-1939
Unit Cell 8.931(2) 9.066(3) 10.1250(10) 76.46(2) 67.080(10) 66.39(3)
Vol 688.9
Z 2
Space Group P -1
SG Number 2
Cryst Sys triclinic
Pearson aP54
Wyckoff i19
R Value 0.064
Red Cell P 8.931 9.066 10.125 76.46 67.08 66.39 688.903
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments The structure has been assigned a PDF number (calculated
powder diffraction data): 01-073-3250
Temperature in Kelvin: 292
Temperature factors available
X-ray diffraction from single crystal

*end for ICSD #170224