Crystallography Open Database
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Searching space group like 'C c c a :2'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000073 | CIF | F7 Li3 Th | C c c a :2 | 8.7885; 8.7685; 12.958 90; 90; 90 | 998.6 | Laligant, Y; Le Bail, A; Avignant, D; Cousseins, J C; Ferey, G Crystal Structure of Li~3~ Th F~7~ solved by X-Ray and Neutron Diffraction Journal of Solid State Chemistry, 1989, 80, 206-212 |
1000074 | CIF | F7 Li3 Th | C c c a :2 | 8.759; 8.728; 12.8956 90; 90; 90 | 985.8 | Laligant, Y; Le Bail, A; Avignant, D; Cousseins, J C; Ferey, G Crystal Structure of Li~3~ Th F~7~ solved by X-Ray and Neutron Diffraction Journal of Solid State Chemistry, 1989, 80, 206-212 |
1001000 | CIF | Ca H4 N2 O8 | C c c a :2 | 11.827; 16.538; 12.622 90; 90; 90 | 2468.8 | Leclaire, A.; Mitschler, A.; Monier, J.-C. Structure cristalline de l'hydrate Ca(NO~3~)~2~.2H~2~ O α Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1976, 32, 1496-1499 |
1008176 | CIF | C3 H6.9 Cl Cu N3 O0.45 S3 | C c c a :2 | 14.258; 22.686; 13.503 90; 90; 90 | 4367.6 | Mosset, A; Abboudi, M; Galy, J Synthese, structure moleculaire et cristalline d'un rubeanate de cuivre(I): Cu Cl (C~2~ N~2~ S~2~ H~4~)~1.5~ (H~2~ O)~0.45~ Zeitschrift fuer Kristallographie (149,1979-), 1983, 164, 171-180 |
1100628 | CIF | C36 H72 Co4 N4 P4 | C c c a :2 | 18.5424; 27.4587; 9.6347 90; 90; 90 | 4905.51 | Riese, Ulrike; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt Cobalt(II)-organische Phosphaniminato-Komplexe mit Heterocuban-Struktur. Kristallstrukturen von [CoBr(NPR~3~)]~4~ mit R = Me, Et, [Co(C≡C-CMe3)(NPMe3)]~4~ und [Co(C≡C-SiMe~3~)(NPEt~3~)]~4~ Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 1279-1284 |
1502976 | CIF | C36 H24 O8 | C c c a :2 | 12.4522; 12.4742; 19.6932 90; 90; 90 | 3059 | Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves Nanochannel array within a multilayered network of a planarized dehydro[24]annulene. Organic letters, 2010, 12, 2346-2349 |
1504002 | CIF | C77 H97 N5 Ni | C c c a :2 | 27.77; 35.78; 8.445 90; 90; 90 | 8391 | Li, Ke-Lai; Guo, Can-Cheng; Chen, Qing-Yun Unprecedented degradation of nickel(II) 2,3,12,13-tetrabromo-5,10,15,20-tetraarylporphyrins by the anion of E-benzaldoxime: a novel approach to nickel(II) chlorophins and bacteriophins. Organic letters, 2009, 11, 2724-2727 |
1530401 | CIF | La32 Nb28 S88 | C c c a :2 | 23.031; 23.216; 5.806 90; 90; 90 | 3104.4 | Meerschaut, A.; Rabu, P.; Rouxel, J. Preparation and characterization of new mixed sandwiched layered compounds Ln32 Nb28 S88 (Ln = La,Ce) Journal of Solid State Chemistry, 1989, 78, 35-45 |
1536196 | CIF | Pd4 Sn16 | C c c a :2 | 6.4417; 11.4452; 6.3886 90; 90; 90 | 471.009 | Nylen, J.; Mosel, B.D.; Garcia-Garcia, F.J.; Poettgen, R.; Haeussermann, U. Structural relationships, phase stability and bonding of compounds Pd Sn(n) (n= 2,3,4) Solid State Sciences, 2004, 6, 147-155 |
1536344 | CIF | Al2 F16 Sr5 | C c c a :2 | 7.4488; 12.4714; 14.1411 90; 90; 90 | 1313.67 | Weil, M. Preparation and crystal structure of the strontium aluminium fluoride Sr5 Al2 F16 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2669-2672 |
1536348 | CIF | Al2 F16 O0.65 Sr5 | C c c a :2 | 7.4622; 12.5647; 14.1041 90; 90; 90 | 1322.41 | Weil, M. Synthesis and crystal structure of Sr5 Al2 F16 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2669-2672 |
1551036 | CIF | C8 H16 B2 Ca N4 | C c c a :2 | 11.1233; 10.5994; 11.2028 90; 90; 90 | 1320.8 | Kadota, Kentaro; Duong, Nghia Tuan; Nishiyama, Yusuke; Sivaniah, Easan; Kitagawa, Susumu; Horike, Satoshi Borohydride-containing coordination polymers: synthesis, air stability and dehydrogenation Chemical Science, 2019 |
1553981 | CIF | C104 H96 Au8 Cl10 P8 S2 | C c c a :2 | 29.8513; 27.0724; 28.996 90; 90; 90 | 23433 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
1553982 | CIF | C102 H92 Au8 Cl6 P8 S2 | C c c a :2 | 30.1004; 27.2979; 29.2079 90; 90; 90 | 23999.5 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
1553983 | CIF | C102 H92 Au8 Cl6 P8 S2 | C c c a :2 | 30.1847; 27.3736; 29.2444 90; 90; 90 | 24163.6 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
1553984 | CIF | C104 H96 Au8 Cl10 P8 S2 | C c c a :2 | 29.9954; 27.188; 29.1016 90; 90; 90 | 23732.8 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
1553985 | CIF | C102 H92 Au8 Cl6 P8 S2 | C c c a :2 | 30.1665; 27.3016; 29.212 90; 90; 90 | 24058.8 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
1553987 | CIF | C102 H92 Au8 Cl6 P8 S2 | C c c a :2 | 27.105; 29.82; 28.748 90; 90; 90 | 23236 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
1556547 | CIF | C30 H54 O9 Si6 | C c c a :2 | 16.2855; 22.346; 19.6563 90; 90; 90 | 7153.2 | Kahr, J.; Belaj, F.; Pietschnig, R. Preparation and Molecular Structure of a Cyclopentyl-Substituted Cage Hexasilsesquioxane T6 (T = cyclopentyl-SiO1.5) Starting from the Corresponding Silanetriol Inorganics, 2017, 5, 66 |
1561881 | CIF | C22 H22 Cu4 I4 N6 O4 | C c c a :2 | 17.642; 21.495; 7.95 90; 90; 90 | 3015 | Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands Journal of Solid State Chemistry, 2015, 228, 65-75 |
1565206 | CIF | C47 H58 I4 N4 Ni O3 | C c c a :2 | 14.6512; 44.3536; 17.5398 90; 90; 90 | 11397.9 | Karges, Johannes; Blacque, Olivier; Gasser, Gilles Metal dipyrrin complexes as potential photosensitizers for photodynamic therapy Inorganica Chimica Acta, 2020, 505, 119482 |
1568252 | CIF | C25 H18 Cl2 N3 Zn | C c c a :2 | 13.8231; 20.1276; 16.7673 90; 90; 90 | 4665.1 | Ngue, Chin May; Ho, Kuan Fu; Sainbileg, Batjargal; Batsaikhan, Erdembayalag; Hayashi, Michitoshi; Lee, Kuei Yi; Chen, Ruei San; Leung, Man Kit Conductivity and photoconductivity in a two-dimensional zinc bis(triarylamine) coordination polymer. Chemical science, 2023, 14, 1320-1328 |
1569003 | CIF | C12 H26 Cl3 Cu2 N4 O6 P3 | C c c a :2 | 13.6165; 25.2859; 13.6152 90; 90; 90 | 4687.8 | Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes. Chemical science, 2023, 14, 5415-5424 |
1569670 | CIF | C120 H80 Ag11.27 Au4.73 Cl16 O2 P4 S8 | C c c a :2 | 23.4047; 56.3203; 46.1622 90; 90; 90 | 60849 | Cao, Yaoyao; Xu, Ying; Shen, Honglei; Pan, Peiyao; Zou, Xuejuan; Kang, Xi; Zhu, Manzhou Probing the surface-active sites of metal nanoclusters with atomic precision: a case study of Au<sub>5</sub>Ag<sub>11</sub>. Nanoscale, 2023, 15, 13784-13789 |
1569844 | CIF | C20 H44 F6 P2 | C c c a :2 | 11.1743; 23.349; 9.9798 90; 90; 90 | 2603.8 | Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M. Room temperature ionic liquids with two symmetric ions. Chemical science, 2023, 14, 10340-10346 |
1570594 | CIF | Al22.53 Ru7 Si | C c c a :2 | 15.4579; 15.5609; 15.5042 90; 90; 90 | 3729.36 | Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin Materials Transactions, 2024, 65, 18-26 |
1573256 | CIF | C760 H564 Cd16 N96 O16 | C c c a :2 | 28.333; 43.635; 40.669 90; 90; 90 | 50280 | Li, Yu-Qing; Zhao, He; Han, Ermeng; Jiang, Zhiyuan; Bai, Qixia; Guan, Yuming; Zhang, Zhe; Wu, Tun; Wang, Pingshan Dynamic selection in metallo-organic cube Cdâ…ˇ8L4 conformations induced by perfluorooctanoate encapsulation Chemical Science, 2024 |
2000065 | CIF | C2 H10 K N2 O9 P3 | C c c a :2 | 20.85; 9.044; 11.653 90; 90; 90 | 2197.38 | Averbuch-Pouchot, M. T.; Durif, A. Structure of potassium ethylenediammonium cyclo-triphosphate Acta Crystallographica, Section C: Crystal Structure Communications, 1988, 44, 1909-1911 |
2000643 | CIF Paper | C8 H26 N4 O3 | C c c a :2 | 16.636; 16.873; 8.881 90; 90; 90 | 2492.9 | Reibenspies, J. H. Structure of 1,4,7,10-tetraazacyclododecane trihydrate Acta Crystallographica Section C, 1992, 48, 1717-1718 |
2003424 | CIF Paper | C30 H30 Cu0.92 I2 N6 Zn0.08 | C c c a :2 | 12.313; 15.335; 16.616 90; 90; 90 | 3137.4 | Durand, P. B.; Holt, E. M. Diiodotetra(pyridine-<i>N</i>)copper(II)zinc(II) Dipyridine Acta Crystallographica Section C, 1995, 51, 850-852 |
2004902 | CIF Paper | C24 H24 N2 Ni O2 S4 | C c c a :2 | 14.644; 15.644; 23.085 90; 90; 90 | 5289 | Xiong, R.-G.; Zuo, J.-L.; You, X.-Z.; Huang, X.-Y. <i>trans</i>-Bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')bis(isoquinoline)nickel(II) Acta Crystallographica Section C, 1996, 52, 1157-1159 |
2010787 | CIF Paper | C12 H36 Hg2 Si4 | C c c a :2 | 14.9958; 17.5356; 9.0327 90; 90; 90 | 2375.2 | Pickett, Nigel L.; Just, Oliver; VanDerveer, Donald G.; Rees, Jr, William S. Reinvestigation of bis(trimethylsilyl)mercury Acta Crystallographica Section C, 2000, 56, 412-413 |
2013222 | CIF HKL Paper | C24 H16 Cu I N4 | C c c a :2 | 16.2547; 29.4171; 18.1262 90; 90; 90 | 8667.3 | Clarke, Rachael; Latham, Kay; Rix, Colin; White, Jonathan Two polymorphs of bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) iodide Acta Crystallographica Section C, 2003, 59, m7-m9 |
2014043 | CIF HKL Paper | C14 H36 Cl2 Cu N4 O10 | C c c a :2 | 13.145; 13.333; 14.332 90; 90; 90 | 2511.9 | Akitsu, Takashiro; Einaga, Yasuaki Bis(acetone-κ<i>O</i>)bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) diperchlorate Acta Crystallographica Section C, 2004, 60, m162-m164 |
2014761 | CIF Paper | Ba H4 O4 P2 | C c c a :2 | 6.239; 15.584; 6.1726 90; 90; 90 | 600.15 | Kuratieva, Natalia V.; Naumova, Marina I.; Podberezskaya, Nina V.; Naumov, Dmitry Yu. The bivalent metal hypophosphites Sr(H~2~PO~2~)~2~, Pb(H~2~PO~2~)~2~ and Ba(H~2~PO~2~)~2~ Acta Crystallographica Section C, 2005, 61, i14-i16 |
2102521 | CIF Paper | C60 H120 Fe6 N12 O24 | C c c a :2 | 20.939; 25.243; 16.048 90; 90; 90 | 8482.4 | Prof. Clemente Dore Augusto; Prof. Marzotto Armando 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum Acta Crystallographica Section B, 2004, 60, 287-292 |
2105424 | CIF | B4 Lu Rh4 | C c c a :2 | 7.41; 22.26; 7.44 90; 90; 90 | 1227.2 | Yvon, K.; Johnston, D.C. Orthorhombic Lu Rh4 B4 -A new polytype of R T4 B4 stoichiometry Acta Crystallographica B (24,1968-38,1982), 1982, 38, 247-250 |
2106864 | CIF | Cl7 Cu2 Rb3 | C c c a :2 | 24.843; 7.216; 7.216 90; 90; 90 | 1293.59 | Crama, W.J. Structure of Trirubidium Heptachlorodicuprate(II) Acta Crystallographica B (24,1968-38,1982), 1981, 37, 662-664 |
2201468 | CIF HKL Paper | C6 H17 Cl N O0.5 | C c c a :2 | 10.289; 15.723; 11.59 90; 90; 90 | 1875 | Guido J. Reiß; Brigitte Koppelhuber-Bitschnau Diisopropylammonium chloride hemihydrate, a combined single-crystal and powder diffraction study Acta Crystallographica Section E, 2002, 58, o1309-o1311 |
2207379 | CIF Paper | Ca Cl2 O4 | C c c a :2 | 5.7434; 12.6002; 5.7405 90; 90; 90 | 415.43 | Smolentsev, Anton I.; Naumov, Dmitry Yu. Calcium chlorite, Ca(ClO~2~)~2~, from X-ray powder diffraction data Acta Crystallographica Section E, 2005, 61, i246-i248 |
2207380 | CIF Paper | Cl2 O4 Sr | C c c a :2 | 5.9799; 12.7519; 5.9787 90; 90; 90 | 455.91 | Smolentsev, Anton I.; Naumov, Dmitry Yu. Strontium chlorite, Sr(ClO~2~)~2~, from X-ray powder diffraction data Acta Crystallographica Section E, 2005, 61, i249-i250 |
2209177 | CIF Paper | C38 H30 N8 Ni O8 | C c c a :2 | 14.9148; 22.1842; 22.4259 90; 90; 90 | 7420.1 | Qiu, Xiao-Yang; Ma, Ji-Long; Liu, Wei-Sheng; Zhu, Hai-Liang Bis[(<i>E</i>)-<i>N</i>'-(2-nitrobenzylidene)-2-oxidobenzohydrazide]bis(pyridine-κ<i>N</i>)nickel(II) Acta Crystallographica Section E, 2006, 62, m1289-m1290 |
2219247 | CIF HKL Paper | C28 H27 Mo N16 O4 | C c c a :2 | 16.259; 12.787; 15.442 90; 90; 90 | 3210.5 | Liu, Wen-Yan; Zhou, Hu; Yuan, Ai-Hua 4,4'-Diazenediyldipyridinium (4-pyridyldiazenyl)pyridinium octacyanidomolybdate(V) tetrahydrate Acta Crystallographica Section E, 2008, 64, m1151 |
2237548 | CIF HKL Paper | C32 H31 Mo N12 O4 | C c c a :2 | 12.403; 16.534; 15.37 90; 90; 90 | 3151.9 | Yang, Xiao-Zhen; Hu, Ai-Yun; Yuan, Ai-Hua 4,4'-(Ethene-1,2-diyl)dipyridinium 4-[2-(pyridin-4-yl)ethenyl]pyridinium octacyanidomolybdate(V) tetrahydrate Acta Crystallographica Section E, 2013, 69, m132 |
2311345 | CIF Paper | C42 H38 Fe N6 | C c c a :2 | 11.9028; 32.2189; 35.5223 90; 90; 90 | 13622.6 | Lau, Ka-Cheong; Filatov, Alexander S.; Jordan, Richard F. Crystal structure of 1-phenyl-imido-1-{6-[1-(phenyl-imino)-eth-yl]pyridin-2-yl}ethan-1-yl-κ<sup>3</sup><i>N</i>,<i>N</i>',<i>N</i>'')iron(II). Acta crystallographica. Section E, Crystallographic communications, 2016, 72, 1595-1598 |
2312508 | CIF HKL Paper | C18 H30 Ca O24 Zn2 | C c c a :2 | 6.9927; 18.934; 20.808 90; 90; 90 | 2755 | Chinchan, Kunlanit; Jiajaroen, Suwadee; Theppitak, Chatphorn; Laksee, Sakchai; Sukwattanasinitt, Mongkol; Chainok, Kittipong Synthesis, structure and photoluminescence properties of heterometallic-based coordination polymers of trimesic acid. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
2312583 | CIF HKL Paper | C30 H38 Cl2 Cu3 N16 O13 | C c c a :2 | 13.766; 20.162; 30.654 90; 90; 90 | 8508 | Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
3500082 | CIF HKL | C20 H44 Br N | C c c a :2 | 10.5034; 22.9748; 9.2342 90; 90; 90 | 2228.3 | Thierry Maris Tetrapentylammonium Bromide Personal communication to COD, 2019 |
4029769 | CIF | C10 H6 F12 O S2 | C c c a :2 | 21.271; 25.685; 10.563 90; 90; 90 | 5771 | Petrov, Viacheslav A.; Marshall, Will Acid catalyzed cyclodimerization of 2,2-bis(trifluoromethyl)-4-alkoxy-oxetanes and -thietanes. Synthesis of 2,2,6,6-tetrakis(trifluoromethyl)-4,8-dialkoxy-1,5-dioxocanes and 3,3,7,7-tetrakis(trifluoromethyl)-9-oxa-2,6-dithia-bicyclo[3.3.1]nonane. Beilstein journal of organic chemistry, 2010, 6, 46 |
4033947 | CIF | C208 H216 | C c c a :2 | 30.56; 35.21; 22.18 90; 90; 90 | 23866 | Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes. The Journal of organic chemistry, 2019, 84, 3500-3507 |
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