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 |
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 |
4033949 | CIF | C218 H226 Cl30 | 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 |
4063221 | CIF | C53 H44 F6 Ir O3.5 P5 Pt | C c c a :2 | 20.1924; 44.8906; 23.3886 90; 90; 90 | 21200.6 | Brian T. Sterenberg; Hilary A. Jenkins; Richard J. Puddephatt Complexes with Platinum-Iridium Bonds: Stepwise Formation of a PtIr2 Cluster Complex Organometallics, 1999, 18, 219-226 |
4077210 | CIF | C60 H120 Mg6 N12 O24 | C c c a :2 | 20.948; 25.1843; 16.2816 90; 90; 90 | 8589.53 | Yang, Kuo-Ching; Chang, Chung-Cheng; Yeh, Charng-Sheng; Lee, Gene-Hsiang; Peng, Shie-Ming Steric and Solvent Effects on the CO2Fixation of Magnesium Compounds Organometallics, 2001, 20, 126 |
4089671 | CIF | C72 H84 Ag6 B6 F24 N24 | C c c a :2 | 22.967; 28.073; 16.298 90; 90; 90 | 10508.2 | Segarra, Candela; Guisado-Barrios, Gregorio; Hahn, F. Ekkehardt; Peris, Eduardo Hexanuclear Cylinder-Shaped Assemblies of Silver and Gold from Benzene‒Hexa-N-heterocyclic Carbenes Organometallics, 2014, 33, 5077 |
4100808 | CIF | C22 H16 Br2 Co N6 O2 | C c c a :2 | 10.481; 19.03; 10.894 90; 90; 90 | 2172 | Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds Journal of the American Chemical Society, 2004, 126, 3817-3828 |
4102651 | CIF | C58 H52 Cl2 N4 O4 Pd | C c c a :2 | 14.5799; 27.869; 15.8661 90; 90; 90 | 6446.8 | Andrew G. Tennyson; Vincent M. Lynch; Christopher W. Bielawski Arrested Catalysis: Controlling Kumada Coupling Activity via a Redox-Active N-Heterocyclic Carbene Journal of the American Chemical Society, 2010, 132, 9420-9429 |
4102652 | CIF | C63 H64 Cl2 N4 O4 Pt | C c c a :2 | 14.708; 27.671; 16.028 90; 90; 90 | 6523 | Andrew G. Tennyson; Vincent M. Lynch; Christopher W. Bielawski Arrested Catalysis: Controlling Kumada Coupling Activity via a Redox-Active N-Heterocyclic Carbene Journal of the American Chemical Society, 2010, 132, 9420-9429 |
4105815 | CIF | C36 H24 Cu4 I2 N18 S4 W | C c c a :2 | 26.589; 31.767; 13.739 90; 90; 90 | 11605 | Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng Solvatochromic Behavior of a Nanotubular Metal-Organic Framework for Sensing Small Molecules Journal of the American Chemical Society, 2011, 133, 4172-4174 |
4105816 | CIF | C36 H24 Cu4 I2 N18 S4 W | C c c a :2 | 26.86; 31.492; 13.905 90; 90; 90 | 11762 | Zhen-Zhong Lu; Rui Zhang; Yi-Zhi Li; Zi-Jian Guo; He-Gen Zheng Solvatochromic Behavior of a Nanotubular Metal-Organic Framework for Sensing Small Molecules Journal of the American Chemical Society, 2011, 133, 4172-4174 |
4106235 | CIF | C16 H10 N O4 Zn | C c c a :2 | 11.426; 18.457; 18.34 90; 90; 90 | 3867.7 | Joobeom Seo; Charlotte Bonneau; Ryotaro Matsuda; Masaki Takata; Susumu Kitagawa Soft Secondary Building Unit: Dynamic Bond Rearrangement on Multinuclear Core of Porous Coordination Polymers in Gas Media Journal of the American Chemical Society, 2011, 133, 9005-9013 |
4107307 | CIF | C60 H72 Cu12 N24 | C c c a :2 | 18.537; 46.211; 34.925 90; 90; 90 | 29917 | Jie-Peng Zhang; Susumu Kitagawa Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate Journal of the American Chemical Society, 2008, 130, 907-917 |
4107308 | CIF | C60 H72 Ag12 N24 | C c c a :2 | 19.2056; 47.9669; 36.2063 90; 90; 90 | 33354.4 | Jie-Peng Zhang; Susumu Kitagawa Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate Journal of the American Chemical Society, 2008, 130, 907-917 |
4107349 | CIF | C44 H28 Cd Cl2 N8 O8 | C c c a :2 | 16.617; 19.661; 12.12 90; 90; 90 | 3959.7 | Gregory M. Cockrell; Gang Zhang; Donald G. VanDerveer; Randolph P. Thummel; Robert D. Hancock Enhanced Metal Ion Selectivity of 2,9-Di-(pyrid-2-yl)-1,10-phenanthroline and Its Use as a Fluorescent Sensor for Cadmium(II) Journal of the American Chemical Society, 2008, 130, 1420-1430 |
4109859 | CIF | C78 H74 D18 Hg2 | C c c a :2 | 17.2416; 25.4186; 15.1465 90; 90; 90 | 6638.1 | Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species Journal of the American Chemical Society, 2007, 129, 10847-10857 |
4111696 | CIF | C15 H12 Co N5 O6 | C c c a :2 | 11.905; 19.325; 17.425 90; 90; 90 | 4008.9 | Gregory J. Halder; Cameron J. Kepert In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material Journal of the American Chemical Society, 2005, 127, 7891-7900 |
4111697 | CIF | C17 H18 Co N5 O7 | C c c a :2 | 12.22; 19.151; 17.46 90; 90; 90 | 4086 | Gregory J. Halder; Cameron J. Kepert In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material Journal of the American Chemical Society, 2005, 127, 7891-7900 |
4111698 | CIF | C16 H16 Co N5 O7 | C c c a :2 | 12.0529; 19.227; 17.48 90; 90; 90 | 4050.8 | Gregory J. Halder; Cameron J. Kepert In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material Journal of the American Chemical Society, 2005, 127, 7891-7900 |
4111699 | CIF | C17 H15 Co N6 O6 | C c c a :2 | 11.984; 19.23; 17.372 90; 90; 90 | 4003 | Gregory J. Halder; Cameron J. Kepert In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material Journal of the American Chemical Society, 2005, 127, 7891-7900 |
4111700 | CIF | C18 H18 Co N5 O7 | C c c a :2 | 12.699; 19.21; 17.76 90; 90; 90 | 4333 | Gregory J. Halder; Cameron J. Kepert In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material Journal of the American Chemical Society, 2005, 127, 7891-7900 |
4111701 | CIF | C19 H20 Co N5 O7 | C c c a :2 | 13.116; 19.085; 17.934 90; 90; 90 | 4489 | Gregory J. Halder; Cameron J. Kepert In Situ Single-Crystal X-ray Diffraction Studies of Desorption and Sorption in a Flexible Nanoporous Molecular Framework Material Journal of the American Chemical Society, 2005, 127, 7891-7900 |
4112834 | CIF | C17 H18 N5 Ni O7 | C c c a :2 | 12.156; 18.891; 17.584 90; 90; 90 | 4038 | Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics Journal of the American Chemical Society, 2004, 126, 9750-9759 |
4112835 | CIF | C15 H12 N5 Ni O6 | C c c a :2 | 11.883; 19.049; 17.415 90; 90; 90 | 3942 | Ashleigh J. Fletcher; Edmund J. Cussen; Darren Bradshaw; Matthew J. Rosseinsky; K. Mark Thomas Adsorption of Gases and Vapors on Nanoporous Ni2(4,4'-Bipyridine)3(NO3)4 Metal-Organic Framework Materials Templated with Methanol and Ethanol: Structural Effects in Adsorption Kinetics Journal of the American Chemical Society, 2004, 126, 9750-9759 |
4116219 | CIF | C209.5 H182 Cl2 N10 Pd2.5 | C c c a :2 | 27.863; 43.569; 29.333 90; 90; 90 | 35609 | Dayong Sun; Fook S. Tham; Christopher A. Reed; Leila Chaker; Michael Burgess; Peter D. W. Boyd Porphyrin-Fullerene Host-Guest Chemistry Journal of the American Chemical Society, 2000, 122, 10704-10705 |
4119013 | CIF | C48 H72 Si10 | C c c a :2 | 11.8248; 25.228; 17.106 90; 90; 90 | 5103 | Takashi Abe; Ryoji Tanaka; Shintaro Ishida; Mitsuo Kira; Takeaki Iwamoto New Isolable Dialkylsilylene and Its Isolable Dimer That Equilibrate in Solution Journal of the American Chemical Society, 2012, 134, 20029-20032 |
4119726 | CIF | C27.5 H61.5 Ge4.5 Si3 | C c c a :2 | 16.5121; 28.0431; 16.4572 90; 90; 90 | 7620.5 | Yuki Ito; Vladimir Ya. Lee; Heinz Gornitzka; Catharina Goedecke; Gernot Frenking; Akira Sekiguchi Spirobis(pentagerma[1.1.1]propellane): A Stable Tetraradicaloid Journal of the American Chemical Society, 2013, 135, 6770-6773 |
4121281 | CIF | C128 H244 Au23 N S16 | C c c a :2 | 33.2055; 64.785; 32.7759 90; 90; 90 | 70508 | Anindita Das; Tao Li; Katsuyuki Nobusada; Chenjie Zeng; Nathaniel L. Rosi; Rongchao Jin Nonsuperatomic [Au23(SC6H11)16]- Nanocluster Featuring Bipyramidal Au15 Kernel and Trimeric Au3(SR)4 Motif Journal of the American Chemical Society, 2013, 135, 18264-18267 |
4122753 | CIF | C50 H65.25 Cl Co N5.94 O2.16 | C c c a :2 | 19.0807; 42.12; 22.668 90; 90; 90 | 18218 | Zolnhofer, Eva M.; Käß, Martina; Khusniyarov, Marat M.; Heinemann, Frank W.; Maron, Laurent; van Gastel, Maurice; Bill, Eckhard; Meyer, Karsten An Intermediate Cobalt(IV) Nitrido Complex and its N-Migratory Insertion Product. Journal of the American Chemical Society, 2014, 136, 15072-15078 |
4129464 | CIF | C73.3 H112 Br4 F7.88 I2.4 N4 O14 | C c c a :2 | 24.2579; 25.5595; 30.1104 90; 90; 90 | 18669 | Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures. Journal of the American Chemical Society, 2015, 137, 10406-10413 |
4130140 | CIF | C54 H28 Cl4 F8 Ir2 N4 O6 | C c c a :2 | 14.2793; 16.5304; 23.6 90; 90; 90 | 5570.6 | Chen, Tsun-Ren; Wu, Fang-Siou; Lee, Hsiu-Pen; Chen, Kelvin H.-C. Diiridium Bimetallic Complexes Function as a Redox Switch To Directly Split Carbonate into Carbon Monoxide and Oxygen. Journal of the American Chemical Society, 2016, 138, 3643-3646 |
4131829 | CIF | C112 H176 Au21.34 Cu1.66 N S16 | C c c a :2 | 33.0713; 63.499; 32.3807 90; 90; 90 | 67999 | Li, Qi; Lambright, Kelly J.; Taylor, Michael G.; Kirschbaum, Kristin; Luo, Tian-Yi; Zhao, Jianbo; Mpourmpakis, Giannis; Mokashi-Punekar, Soumitra; Rosi, Nathaniel L.; Jin, Rongchao Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping. Journal of the American Chemical Society, 2017, 139, 17779-17782 |
4134734 | CIF | C68 H54 F24 N6 P4 | C c c a :2 | 12.0098; 34.634; 39.679 90; 90; 90 | 16504 | Garci, Amine; Beldjoudi, Yassine; Kodaimati, Mohamad S.; Hornick, Jessica E.; Nguyen, Minh T.; Cetin, M. Mustafa; Stern, Charlotte L.; Roy, Indranil; Weiss, Emily A.; Stoddart, J. Fraser Mechanical-Bond-Induced Exciplex Fluorescence in an Anthracene-Based Homo[2]catenane. Journal of the American Chemical Society, 2020, 142, 7956-7967 |
4135098 | CIF | C120 H220 Au28 S20 | C c c a :2 | 34.0184; 26.2564; 21.7846 90; 90; 90 | 19458 | Xia, Nan; Yuan, Jinyun; Liao, Lingwen; Zhang, Wenhao; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun Structural Oscillation Revealed in Gold Nanoparticles. Journal of the American Chemical Society, 2020 |
4301951 | CIF | C43 H64 O7 V | C c c a :2 | 19.9969; 23.74; 18.1741 90; 90; 90 | 8627.7 | Aimee M. Morris; Cortlandt G. Pierpont; Richard G. Finke Synthesis and Characterization of VV(3,6-DBSQ)(3,6-DBCat)2, a d0 Metal Complex with Dioxygenase Catalytic Activity Inorganic Chemistry, 2009, 48, 3496-3498 |
4302463 | CIF | C22 H30 N6 Ni2 O8 | C c c a :2 | 15.6192; 19.3293; 16.98 90; 90; 90 | 5126.4 | Pampa Mukherjee; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh The Crucial Role of Polyatomic Anions in Molecular Architecture: Structural And Magnetic Versatility of Five Nickel(II) Complexes Derived from A N,N,O-Donor Schiff Base Ligand Inorganic Chemistry, 2009, 48, 5848-5860 |
4304005 | CIF | C56 H56 B4 Cu4 F16 N24 | C c c a :2 | 17.3669; 25.742; 19.5594 90; 90; 90 | 8744.2 | Blanca R. Manzano; Félix A. Jalón; Isabel M. Ortiz; M. Laura Soriano; Felipe Gómez de la Torre; José Elguero; Miguel A. Maestro; Kurt Mereiter; Tim D. W. Claridge Self-assembly of Ligands Designed for the Building of a New Type of [2 x 2] Metallic Grid. Anion Encapsulation and Diffusion NMR Spectroscopy Inorganic Chemistry, 2008, 47, 413-428 |
4304129 | CIF | C48 H84 N6 P4 Si8 Zr2 | C c c a :2 | 14.29; 19.213; 24.033 90; 90; 90 | 6598.4 | Lara Morello; Maria João Ferreira; Brian O. Patrick; Michael D. Fryzuk Side-On Bound Dinitrogen Complex of Zirconium Supported by a P2N2 Macrocyclic Ligand Inorganic Chemistry, 2008, 47, 1319-1323 |
4307774 | CIF | C6 H12.88 Cd3 F2 N9 O4.13 | C c c a :2 | 18.07; 18.0766; 17.9952 90; 90; 90 | 5878 | Wayne Ouellette; Bruce S. Hudson; Jon Zubieta Hydrothermal and Structural Chemistry of the Zinc(II)- and Cadmium(II)-1,2,4-Triazolate Systems Inorganic Chemistry, 2007, 46, 4887-4904 |
4308811 | CIF | C40 H57 Ag4 N8 O18.5 | C c c a :2 | 17.0202; 21.3162; 27.282 90; 90; 90 | 9898.1 | Jie-Peng Zhang; Yan-Yong Lin; Xiao-Chun Huang; Xiao-Ming Chen Well-Resolved, New Water Morphologies Obtained by Modification of the Hydrophilic/Hydrophobic Character and Shapes of the Supporting Layers Inorganic Chemistry, 2005, 44, 3146-3150 |
4310435 | CIF | C60 H120 Mg5.04 Mn0.96 N12 O24 | C c c a :2 | 20.6773; 25.2183; 16.5171 90; 90; 90 | 8612.8 | M. Tyler Caudle; Charles K. Mobley; Laura M. Bafaro; Russell LoBrutto; Gordon T. Yee; Thomas L. Groy EPR and Magnetic Properties of Heteronuclear MnnMg6-n(O2CNEt2)12: Impact of Structural Distortions on Mn(II) in Weak Ligand Fields Inorganic Chemistry, 2004, 43, 506-514 |
4316568 | CIF | C60 H56 B Cu F4 N4 | C c c a :2 | 16.8876; 22.1696; 16.173 90; 90; 90 | 6055 | Vitor Rosa; Carla I. M. Santos; Richard Welter; Gabriel Aullón; Carlos Lodeiro; Teresa Avilés Comparison of the Structure and Stability of New α-Diimine Complexes of Copper(I) and Silver(I): Density Functional Theory versus Experimental Inorganic Chemistry, 2010, 49, 8699-8708 |
4316569 | CIF | C60 H56 Ag B F4 N4 | C c c a :2 | 16.8436; 22.5966; 16.1054 90; 90; 90 | 6129.8 | Vitor Rosa; Carla I. M. Santos; Richard Welter; Gabriel Aullón; Carlos Lodeiro; Teresa Avilés Comparison of the Structure and Stability of New α-Diimine Complexes of Copper(I) and Silver(I): Density Functional Theory versus Experimental Inorganic Chemistry, 2010, 49, 8699-8708 |
4318125 | CIF | C60 H120 Co1.58 Mg4.42 N12 O24 | C c c a :2 | 20.8064; 25.1198; 16.4196 90; 90; 90 | 8581.7 | M. Tyler Caudle; Jason B. Benedict; Charles K. Mobley; Nicholas A. Straessler; Thomas L. Groy Metal Ion Scrambling in Hexanuclear M6(Et2NCO2)12 Complexes (M = Co, Mg). Synthesis, Solid State Structure, and Solution Dynamics of Heteronuclear ConMg6-n(Et2NCO2)12 Complexes Inorganic Chemistry, 2002, 41, 3183-3190 |
4318126 | CIF | C60 H120 Co2.68 Mg3.32 N12 O24 | C c c a :2 | 20.7534; 25.12; 16.475 90; 90; 90 | 8588.8 | M. Tyler Caudle; Jason B. Benedict; Charles K. Mobley; Nicholas A. Straessler; Thomas L. Groy Metal Ion Scrambling in Hexanuclear M6(Et2NCO2)12 Complexes (M = Co, Mg). Synthesis, Solid State Structure, and Solution Dynamics of Heteronuclear ConMg6-n(Et2NCO2)12 Complexes Inorganic Chemistry, 2002, 41, 3183-3190 |
4319455 | CIF | C15 H30 Mg1.5 N3 O6 | C c c a :2 | 21.548; 25.094; 15.4485 90; 90; 90 | 8353.4 | M. Tyler Caudle; Ronald A. Nieman; Victor G. Young Assembly of the Inorganic Double Helix Mg6(Et2NCO2)12 by Fixation of Carbon Dioxide: Crystal and Solution Structure Inorganic Chemistry, 2001, 40, 1571-1575 |
4319719 | CIF | K8.5 La1.17 P4 Se16 | C c c a :2 | 18.2133; 38.0914; 10.2665 90; 90; 90 | 7122.59 | Evenson; Peter K. Dorhout Selenophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds K2La(P2Se6)1/2(PSe4), K3La(PSe4)2, K4La0.67(PSe4)2, K9-xLa1+x/3(PSe4)4 (x = 0.5), and KEuPSe4 Inorganic Chemistry, 2001, 40, 2875-2883 |
4319725 | CIF | K8.5 La1.17 P4 S16 | C c c a :2 | 17.529; 36.43; 9.782 90; 90; 90 | 6247 | Evenson; Peter K. Dorhout Thiophosphate Phase Diagrams Developed in Conjunction with the Synthesis of the New Compounds KLaP2S6, K2La(P2S6)1/2(PS4), K3La(PS4)2, K4La0.67(PS4)2, K9-xLa1+x/3(PS4)4 (x = 0.5), K4Eu(PS4)2, and KEuPS4 Inorganic Chemistry, 2001, 40, 2884-2891 |
4320381 | CIF | C53 H70 Cs N25 Ni2 O | C c c a :2 | 25.422; 28.228; 16.741 90; 90; 90 | 12014 | Makoto Tadokoro; Takumasa Shiomi; Kiyoshi Isobe; Kazuhiro Nakasuji Cesium(I)-Mediated 3-D Superstructures by One-Pot Self-Organization of Hydrogen-Bonded Nickel Complexes Inorganic Chemistry, 2001, 40, 5476-5478 |
4321477 | CIF | C18 H17 Co N8 O7 | C c c a :2 | 19.031; 33.627; 14.299 90; 90; 90 | 9151 | Yu-Bin Dong; Mark D. Smith; Hans-Conrad zur Loye New Inorganic/Organic Coordination Polymers Generated from Bidentate Schiff-Base Ligands Inorganic Chemistry, 2000, 39, 4927-4935 |
4322034 | CIF | C12 H36 Cl4 Mo2 N4 | C c c a :2 | 13.328; 26.639; 6.774 90; 90; 90 | 2405.1 | F. Albert Cotton; Evgeny V. Dikarev; Santiago Herrero Mixed Chloride/Amine Complexes of Dimolybdenum(II,II). 3. Preparation, Characterization, and Crystal Structure of Mo2Cl4(NH2R)4 (R = Et, Prn, But, Cy): First Quadruply-Bonded Dimolybdenum Compounds with Primary Amine Ligands Inorganic Chemistry, 1999, 38, 2649-2654 |
4328733 | CIF | C54 H44 Ag2 F12 N8 O2 P2 | C c c a :2 | 23.533; 29.906; 15.98 90; 90; 90 | 11246 | Chao Fang; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong Independent 1D Nanosized Metal-Organic Tube: Anion Exchange, Separation, and Anion-Responsive Luminescence Inorganic Chemistry, 2012, 51, 3923-3925 |
4328734 | CIF | C55 H48 Ag2 Cl2 N8 O9.5 | C c c a :2 | 22.456; 29.527; 16.123 90; 90; 90 | 10690 | Chao Fang; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong Independent 1D Nanosized Metal-Organic Tube: Anion Exchange, Separation, and Anion-Responsive Luminescence Inorganic Chemistry, 2012, 51, 3923-3925 |
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