Crystallography Open Database
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Result : There are 77 entries in the selection
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Searching space group like 'P 1 2 1'
| COD ID: 1008916 | |
| CIF file | Formula: - F7 K Yb2 - Comments: le Fur, Y; Aleonard, S; Gorius, M F; Roux, M T Structure cristalline de la phase $-beta-K Yb2 F7 Journal of Solid State Chemistry 35 (1980) 29-33 Space group: P 1 2 1 Cell volume: 159.3 Cell parameters: 6.528; 4.217; 6.435; 90; 115.94; 90; |
| COD ID: 1507320 | |
| CIF file | Formula: - C18 H28 O8 - Comments: Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S. Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides. Organic letters 5(12) (2003) 2149-2152 Space group: P 1 2 1 Cell volume: 932.3 Cell parameters: 11.4095; 5.3468; 15.4399; 90; 98.187; 90; |
| COD ID: 1513537 | |
| CIF file | Formula: - C37 H57 N4 O10.5 - Comments: Bandyopadhyay, Anupam; Malik, Ankita; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N. Exploring β-hydroxy γ-amino acids (statines) in the design of hybrid peptide foldamers. Organic letters 16(1) (2014) 294-297 Space group: P 1 2 1 Cell volume: 4036.3 Cell parameters: 13.6287; 10.3904; 29.171; 90; 102.281; 90; |
| COD ID: 1524549 | |
| CIF file | Formula: - Cr11 Fe13 Mo3 Ni3 - Comments: Hjerten, I.; Werner, P.E.; Marinder, B.O.; Salwen, A. Structural investigations on the monoclinic sigma-phase in the Cr - Fe - Ni - Mo system Acta Chemica Scandinavica, Series A: (28,1974-) 36 (1982) 203-206 Space group: P 1 2 1 Cell volume: 363.148 Cell parameters: 8.8915; 4.6088; 8.8618; 90; 90.15; 90; |
| COD ID: 1525582 | |
| CIF file | Formula: - B20 Ba5 H6 O38 - Comments: Arakcheeva, A.V.; Vinogradova, S.A.; Pushcharovskii, D.Yu.; Hostettler, M.; Chapuis, G.; Dimitrova, O.V. New boron-oxygen layer in the structure of barium hydrodecaborate Ba5 (B20 O33 (O H)4) * (H2 O) Kristallografiya 45 (2000) 448-451 Space group: P 1 2 1 Cell volume: 743.72 Cell parameters: 9.495; 6.716; 11.709; 90; 95.09; 90; |
| COD ID: 1526771 | |
| CIF file | Formula: - H9.52 N0.88 O10 Rb1.12 S Te - Comments: Ktari, L.; Mhiri, T.; Dammak, M.; Savariault, J.M. Thermal behavior and crystal structure at 435 K of the mixed rubidium ammonium sulfate tellurate (Rb1.12 (N H4)0.88 S O4) * (Te (O H)6) Journal of Solid State Chemistry 161 (2001) 1-8 Space group: P 1 2 1 Cell volume: 512.85 Cell parameters: 7.541; 6.772; 10.142; 90; 98.03; 90; |
| COD ID: 1530688 | |
| CIF file | Formula: - C36 H53 N3 O4 S - Comments: Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor Organic Process Research & Development 19(11) (2015) 1693 Space group: P 1 2 1 Cell volume: 3709.4 Cell parameters: 20.4743; 8.7109; 22.4995; 90; 112.422; 90; |
| COD ID: 1531198 | |
| CIF file | Formula: - Al0.5 Ca0.5 Fe0.07 Mg0.43 Na0.5 O6 Si2 - Comments: Clark, J.R.; Papike, J.J.; Appleman, D.E. Crystal-chemical characterization of clinopyroxenes based on eight new structure refinements Mineralogical Society of America: Special Papers 2 (1969) 31-50 Space group: P 1 2 1 Cell volume: 420.236 Cell parameters: 9.551; 8.751; 5.254; 90; 106.87; 90; |
| COD ID: 1532975 | |
| CIF file | Formula: - Ba Mn2 O6 Y - Comments: Nakajima, T.; Kageyama, H.; Ichihara, M.; Ohoyama, K.; Ueda, Y.; Yoshizawa, H. Anomalous octaedral distortion and multiple phase transitions in the metal-ordered manganite Y Ba Mn2 O6 Journal of Solid State Chemistry 177 (2004) 987-999 Space group: P 1 2 1 Cell volume: 231.664 Cell parameters: 5.5193; 5.5131; 7.6135; 90; 90.295; 90; |
| COD ID: 1534171 | |
| CIF file | Formula: - F Nb17 O42 - Comments: Astroem, A. The Crystal Structure of Nb31 O77 F and Nb17 O42 F Acta Chemica Scandinavica (1-27,1973-42,1988) 20 (1966) 969-982 Space group: P 1 2 1 Cell volume: 1666.8 Cell parameters: 21.09; 3.827; 23.01999; 90; 116.22; 90; |
| COD ID: 1536860 | |
| CIF file | Formula: - B11 Ca0.8 H7 O22 Sr1.2 - Comments: Rastsvetaeva, R.K.; Khomyakov, A.P.; Sokolova, T.N. Crystal structure of p-veatchite with high calcium content and its place in the series of stratified borates with the (B5 O8 (O H))2- radical. Kristallografiya 38 (1993) 86-93 Space group: P 1 2 1 Cell volume: 793.561 Cell parameters: 6.686; 20.614; 6.594; 90; 119.17; 90; |
| COD ID: 1541673 | |
| CIF file | Formula: - K0.5 S8 V5 - Comments: Bronsema, K.D.; Jansen, R.; Wiegers, G.A. The preparation, crystal structures and properties of the potassium vanadium sulfides Kx V5 S8 (x= 0.5-0.7) Materials Research Bulletin 19 (1984) 555-562 Space group: P 1 2 1 Cell volume: 940.253 Cell parameters: 17.462; 6.556; 8.4595; 90; 103.86; 90; |
| COD ID: 1548912 | |
| CIF file | Formula: - C22 H32 Cl3 N4 O4 Ru - Comments: Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations. Chemical science 9(10) (2018) 2803-2816 Space group: P 1 2 1 Cell volume: 1270.4 Cell parameters: 10.505; 10.579; 11.649; 90; 101.09; 90; |
| COD ID: 1550706 | |
| CIF file | Formula: - C452.15 H656.6 Cl6.5 K2 N86 O94 Si16 - Comments: Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent Chemical Science (2019) Space group: P 1 2 1 Cell volume: 29039 Cell parameters: 30.32; 22.277; 44.399; 90; 104.461; 90; |
| COD ID: 1554568 | |
| CIF file | Formula: - C18 H17 Cl3 O5 - Comments: Liu, Hongxin; Tan, Haibo; Wang, Wenxuan; Zhang, Wenge; Chen, Yuchan; Li, Saini; Liu, Zhaoming; Li, Haohua; Zhang, Weimin Cytorhizophins A and B, benzophenone-hemiterpene adducts from the endophytic fungus Cytospora rhizophorae Organic Chemistry Frontiers 6(5) (2019) 591 Space group: P 1 2 1 Cell volume: 1867.98 Cell parameters: 13.8718; 9.6965; 13.8978; 90; 92.204; 90; |
| COD ID: 1557047 | |
| CIF file | Formula: - C41 H38 Cd Cl3 N8 O14 - Comments: Liu, Cai-Ming; Xiong, Ren-Gen; You, Xiao-Zeng; Chen, Wei A Two-Dimensional Square Network Inclusion Compound Incorporating Guest Molecules Through Both Hydrogen Bonding and Nonionic Electrostatic Attraction. Crystal Structure of [Cd(4,4'-bpy)2(H2O)2]-(ClO4)2.1.5(4,4'-bpy).(C6H4NO3Cl).H2O Acta Chemica Scandinavica 52 (1998) 1353-1358 Space group: P 1 2 1 Cell volume: 2327.9 Cell parameters: 11.7365; 11.7808; 16.851; 90; 92.386; 90; |
| COD ID: 2005970 | |
| CIF file | Formula: - C25 H43.5 N O4.25 - Comments: Wahle, M. C.; Byrn, S. R. Hydrated Structures of <i>N</i>-Methylated Cholamide Derivatives Acta Crystallographica Section C 53(3) (1997) 334-339 Space group: P 1 2 1 Cell volume: 2404.5 Cell parameters: 14.0117; 8.0111; 21.6959; 90; 99.123; 90; |
| COD ID: 2008438 | |
| CIF file | Formula: - C30 H24 N2 O9 - Comments: S. Kolappan; T. P. Seshadri <i>N</i>^3^-Benzoyl-2',3'-di-<i>O</i>-benzoyluridine Acta Crystallographica Section C 55(4) (1999) 604-606 Space group: P 1 2 1 Cell volume: 2711.2 Cell parameters: 14.202; 5.737; 33.319; 90; 92.93; 90; |
| COD ID: 2022536 | |
| CIF file | Formula: - C48 H76 K N2 O7 P2 V - Comments: Kucera, Benjamin E.; Young, Jr, Victor G.; Brennessel, William W.; Ellis, John E. Syntheses and crystal structures of new naphthalene– and anthracene–vanadate salts and an unprecedented dimetallabis(anthracene) sandwich complex: [Na(tetrahydrofuran)~3~][V~2~(anthracene)~2~] Acta Crystallographica Section C 78(3) (2022) Space group: P 1 2 1 Cell volume: 1228.3 Cell parameters: 10.3028; 8.6409; 14.5778; 90; 108.835; 90; |
| COD ID: 2106062 | |
| CIF file | Formula: - Al0.333 O40 Ta15 W0.667 - Comments: Stephenson, N.C.; Roth, R.S. Structural systematics in the binary system Ta2 O5 W O3. III. The structure of (Ta2 O5)45 (Al2 O3) (W O3)4 Acta Crystallographica B (24,1968-38,1982) 27 (1971) 1025-1031 Space group: P 1 2 1 Cell volume: 699.674 Cell parameters: 29.2; 6.182; 3.876; 90; 90; 90; |
| COD ID: 2310581 | |
| CIF file | Formula: - Nb2 O5 - Comments: Gatehouse, B.M.; Wadsley, A.D. The crystal structure of the high temperature form of niobium pentoxide Acta Crystallographica (1,1948-23,1967) 17 (1964) 1545-1554 Space group: P 1 2 1 Cell volume: 1357.56 Cell parameters: 21.16; 3.822; 19.35; 90; 119.83; 90; |
| COD ID: 4031491 | |
| CIF file | Formula: - F20 O2 Re2 Sb2 - Comments: Schrobilgen, G.J.D.; Holloway, J.H.; Russell, D.R. High oxidation state fluoro-rhenium species: Preparation and characterization of Re F6(+), (Re F4 O)(+) and (Re2 F9 O2)(+) and the crystal structure of (Re2 F9 O2)(+) (Sb2 F11)(-) Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1984 (1984) 1411-1415 Space group: P 1 2 1 Cell volume: 408.586 Cell parameters: 7.945; 6.519; 7.91; 90; 94.2; 90; |
| COD ID: 4034314 | |
| CIF file | Formula: - C51 H58 Cl2 N12 - Comments: Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane. The Journal of organic chemistry 84(9) (2019) 5695-5711 Space group: P 1 2 1 Cell volume: 1235.8 Cell parameters: 14.606; 5.425; 15.6; 90; 91.35; 90; |
| COD ID: 4073495 | |
| CIF file | Formula: - C37 H44 Cl2 F12 O4 P2 Ru2 - Comments: McGlacken, Gerard P.; O'Brien, Ciara T.; Whitwood, Adrian C.; Fairlamb, Ian J. S. Chiral Mono- and Bis-annelated Cyclopentadienyl Ligands Derived from Tartaric Acid: Synthesis of [(η5-Cyclopentadienyl)RuCl(cod)] and [(η5-Cyclopentadienyl)(η6-benzene)Ru]PF6Derivatives Organometallics 26(15) (2007) 3722 Space group: P 1 2 1 Cell volume: 4105.2 Cell parameters: 23.2056; 8.1184; 23.2436; 90; 110.365; 90; |
| COD ID: 4108301 | |
| CIF file | Formula: - C32 H68 Br N4 O15 Pd S2 - Comments: Shinya Takaishi; Mitsuhito Takamura; Takashi Kajiwara; Masahiro Yamashita; Muneaki Iwata; Hiroyuki Matsuzaki; Hiroshi Okamoto; Hisaaki Tanaka; Shin-ichi Kuroda; Hiroyuki Nishikawa; Hiroki Oshio; Kenichi Kato; Masaki Takata Charge-Density-Wave to Mott-Hubbard Phase Transition in Quasi-One-Dimensional Bromo-Bridged Pd Compounds Journal of the American Chemical Society 130 (2008) 12080-12084 Space group: P 1 2 1 Cell volume: 1137.1 Cell parameters: 7.8326; 5.2167; 28.043; 90; 97.071; 90; |
| COD ID: 4115785 | |
| CIF file | Formula: - C63 H69 B F K N2 O7 - Comments: Shigehiro Yamaguchi; Seiji Akiyama; Kohei Tamao Colorimetric Fluoride Ion Sensing by Boron-Containing π-Electron Systems Journal of the American Chemical Society 123 (2001) 11372-11375 Space group: P 1 2 1 Cell volume: 5545.4 Cell parameters: 20.8599; 12.1728; 22.338; 90; 102.134; 90; |
| COD ID: 4123921 | |
| CIF file | Formula: - C70 Sm3 - Comments: Chen, X.H.; Chi, D.H.; Liu, Z.S.; Takenobu, T.; Sun, Z.; Iwasa, Y. Synthesis, structure, and transport properties of novel fullerides A3 C70 (A = Ba and Sm) Journal of the American Chemical Society 122 (2000) 5729-5732 Space group: P 1 2 1 Cell volume: 1631.55 Cell parameters: 14.88; 10.09; 10.93; 90; 96.16; 90; |
| COD ID: 4129497 | |
| CIF file | Formula: - C21 H26 N2 O5 S - Comments: Lee, Ansoo; Kim, Hyunwoo Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands. Journal of the American Chemical Society 137(35) (2015) 11250-11253 Space group: P 1 2 1 Cell volume: 4141 Cell parameters: 16.054; 10.101; 25.826; 90; 98.59; 90; |
| COD ID: 4129524 | |
| CIF file | Formula: - C300 H300 Co6 F6 N12 O48 Ru6 S6 - Comments: Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units. Journal of the American Chemical Society 137(40) (2015) 13018-13023 Space group: P 1 2 1 Cell volume: 11529.3 Cell parameters: 27.4515; 11.2982; 37.173; 90; 90.008; 90; |
| COD ID: 4131880 | |
| CIF file | Formula: - C260 H378 Cl12 N56 O71.5 S14 - Comments: Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper. Journal of the American Chemical Society 140(17) (2018) 5661-5665 Space group: P 1 2 1 Cell volume: 9860 Cell parameters: 18.981; 25.97; 21.424; 90; 110.983; 90; |
| COD ID: 4132597 | |
| CIF file | Formula: - C34 H34 Cl Cu Fe N2 O - Comments: Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A. Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes. Journal of the American Chemical Society 140(34) (2018) 10644-10648 Space group: P 1 2 1 Cell volume: 3330.3 Cell parameters: 18.3929; 9.5949; 18.9878; 90; 96.359; 90; |
| COD ID: 4132943 | |
| CIF file | Formula: - C34 H42 F6 O4 - Comments: Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L. Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds. Journal of the American Chemical Society 140(38) (2018) 12247-12255 Space group: P 1 2 1 Cell volume: 3365.19 Cell parameters: 25.1525; 5.53398; 27.2474; 90; 117.465; 90; |
| COD ID: 4133375 | |
| CIF file | Formula: - C36 H508 Ce4 Mo132 N18 O629 - Comments: Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids. Journal of the American Chemical Society 141(3) (2019) 1242-1250 Space group: P 1 2 1 Cell volume: 32810 Cell parameters: 39.73; 20.462; 40.363; 90; 90.8; 90; |
| COD ID: 4319674 | |
| CIF file | Formula: - C30 H30 N6 O16 P4 V2 - Comments: Ching-Hui Huang; Li-Hsun Huang; Kwang-Hwa Lii Synthesis and Structure of (4,4'-H2bpy)[V2(HPO4)4(4,4'-bpy)2], a Novel Two-Dimensional Network Compound Inorganic Chemistry 40 (2001) 2625-2627 Space group: P 1 2 1 Cell volume: 898.22 Cell parameters: 8.1434; 11.4343; 10.0905; 90; 107.06; 90; |
| COD ID: 4325464 | |
| CIF file | Formula: - C50 H54 Fe N6 O8.5 - Comments: Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers Inorganic Chemistry 50 (2011) 5925-5935 Space group: P 1 2 1 Cell volume: 2390.19 Cell parameters: 13.31; 11.6027; 15.9378; 90; 103.807; 90; |
| COD ID: 4326197 | |
| CIF file | Formula: - C20 H43 Cl Gd N4 Na2 O15 - Comments: Silvio Aime; Mauro Botta; Zoltán Garda; Benjamin E. Kucera; Gyula Tircso; Victor G. Young; Mark Woods Properties, Solution State Behavior, and Crystal Structures of Chelates of DOTMA Inorganic Chemistry 50 (2011) 7955-7965 Space group: P 1 2 1 Cell volume: 1744.4 Cell parameters: 9.6639; 9.6379; 18.926; 90; 98.266; 90; |
| COD ID: 4330475 | |
| CIF file | Formula: - C4 H6 Mn2 O8 P2 S - Comments: Jean-Michel Rueff; Olivier Perez; Alain Pautrat; Nicolas Barrier; Gary B. Hix; Sylvie Hernot; Hélène Couthon-Gourvès; Paul-Alain Jaffrès Structural Study of Hydrated/Dehydrated Manganese Thiophene-2,5-diphosphonate Metal Organic Frameworks, Mn2(O3P-C4H2S-PO3).2H2O Inorganic Chemistry 51 (2012) 10251-10261 Space group: P 1 2 1 Cell volume: 1085 Cell parameters: 11.621; 4.968; 19.669; 90; 107.16; 90; |
| COD ID: 4341389 | |
| CIF file | Formula: - C36 H76 Br N4 O15 Pt S2 - Comments: Kumagai, Shohei; Iguchi, Hiroaki; Takaishi, Shinya; Breedlove, Brian K.; Yamashita, Masahiro; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Kato, Kenichi; Takata, Masaki Continuous control of optical gaps in quasi-one-dimensional bromide-bridged platinum complexes by utilizing chemical pressure. Inorganic chemistry 53(21) (2014) 11764-11769 Space group: P 1 2 1 Cell volume: 1253.4 Cell parameters: 7.793; 5.379; 29.962; 90; 93.68; 90; |
| COD ID: 4349377 | |
| CIF file | Formula: - C18 H15 Mo4 N6 O16.5 - Comments: Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Kobalz, Merten; Krautscheid, Harald; Cichos, Jakub; Karbowiak, Miroslaw; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S Triazolyl, Imidazolyl, and Carboxylic Acid Moieties in the Design of Molybdenum Trioxide Hybrids: Photophysical and Catalytic Behavior. Inorganic chemistry 56(8) (2017) 4380-4394 Space group: P 1 2 1 Cell volume: 1380.62 Cell parameters: 9.9831; 13.6626; 10.1235; 90; 90.926; 90; |
| COD ID: 4500046 | |
| CIF file | Formula: - C34 H36 B N O6 - Comments: Emilie Voisin; Thierry Maris; James D. Wuest Crystal Structures of Spiroborates Derived from 2,2'-Dihydroxybiphenyl Cryst. Growth & Design 8 (2008) 308-318 Space group: P 1 2 1 Cell volume: 2993.32 Cell parameters: 14.5833; 12.0045; 17.6323; 90; 104.137; 90; |
| COD ID: 4506138 | |
| CIF file | Formula: - C41 H30 N4 O14 Zn2 - Comments: Hu, Jin-Song; Yao, Xiao-Qiang; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling Syntheses, Structures, and Characteristics of Four New Metal‒Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids Crystal Growth & Design 12(7) (2012) 3426 Space group: P 1 2 1 Cell volume: 1217.3 Cell parameters: 10.7263; 9.0056; 12.9899; 90; 104.047; 90; |
| COD ID: 4506979 | |
| CIF file | Formula: - C34 H38 Cl4 N8 O2 Zn2 - Comments: Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone Crystal Growth & Design 12(12) (2012) 6061 Space group: P 1 2 1 Cell volume: 1932.6 Cell parameters: 13.0778; 9.3016; 16.7013; 90; 107.963; 90; |
| COD ID: 6000440 | |
| CIF file | Formula: - Bi12 Mo3 O34 Te V2 - Comments: Castro, A.; Enjalbert, R.; Baules, P.; Galy, J. Synthesis and structural evolution of the solid solution Bi(Bi12-xTexO14)Mo4-xV1+xO20 (O <= x <= 2.5) Journal of Solid State Chemistry 139 (1998) 185-193 Space group: P 1 2 1 Cell volume: 813.36 Cell parameters: 11.704; 5.82; 12.16; 90; 100.9; 90; |
| COD ID: 7005312 | |
| CIF file | Formula: - C33 H29 Cl3 Cr3 N20 O1.5 - Comments: Ismayilov, Rayyat Huseyn; Wang, Wen-Zhen; Lee, Gene-Hsiang; Wang, Rui-Ren; Liu, Isiah Po-Chun; Yeh, Chen-Yu; Peng, Shie-Ming New versatile ligand family, pyrazine-modulated oligo-alpha-pyridylamino ligands, from coordination polymer to extended metal atom chains. Dalton transactions (Cambridge, England : 2003) (issue 27) (2007) 2898-2907 Space group: P 1 2 1 Cell volume: 2082.58 Cell parameters: 13.7908; 10.3096; 14.7425; 90; 96.5009; 90; |
| COD ID: 7019891 | |
| CIF file | Formula: - C58 H46 Mn2 N4 O13 - Comments: He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties. Dalton transactions (Cambridge, England : 2003) 41(32) (2012) 9737-9747 Space group: P 1 2 1 Cell volume: 2597.47 Cell parameters: 12.6724; 9.9767; 20.6665; 90; 96.217; 90; |
| COD ID: 7020649 | |
| CIF file | Formula: - C20 H84 F16 Ga12 N8 O56 P12 Rb4 - Comments: Martineau, Charlotte; Loiseau, Thierry; Beitone, Lionel; Férey, Gérard; Bouchevreau, Boris; Taulelle, Francis Single-crystal XRD and solid-state NMR structural resolution of a layered fluorinated gallium phosphate: RbGa3(PO4)(2)(HPO4)F4·C5N2H16·2H2O (MIL-145). Dalton transactions (Cambridge, England : 2003) 42(2) (2013) 422-431 Space group: P 1 2 1 Cell volume: 2037.3 Cell parameters: 14.4314; 9.1152; 16.7889; 90; 112.708; 90; |
| COD ID: 7049922 | |
| CIF file | Formula: - C21 H24 F6 N3 O4 P Ru S - Comments: Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D. Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes. Dalton transactions (Cambridge, England : 2003) 48(20) (2019) 6910-6920 Space group: P 1 2 1 Cell volume: 2451.9 Cell parameters: 14.2643; 8.4893; 21.3553; 90; 108.533; 90; |
| COD ID: 7057589 | |
| CIF file | Formula: - C8 H20 N30 O4 - Comments: Zhao, Baojing; Li, Xingye; Wang, Piaopiao; Ding, Yongzhi; Zhou, Zhiming A novel facile transformation to 1,2-bis(3-nitro-1-(1H-tetrazol-5-yl)-1H-1,2,4-triazol-5-yl)hydrazine salts New Journal of Chemistry 42(17) (2018) 14087 Space group: P 1 2 1 Cell volume: 1176.7 Cell parameters: 11.727; 7.3404; 13.67; 90; 90.36; 90; |
| COD ID: 7103476 | |
| CIF file | Formula: - C18 H32 B10 - Comments: Hutton, Brian W; MacIntosh, Fraser; Ellis, David; Herisse, Fabien; Macgregor, Stuart A; McKay, David; Petrie-Armstrong, Victoria; Rosair, Georgina M; Perekalin, Dmitry S; Tricas, Hugo; Welch, Alan J Unprecedented steric deformation of ortho-carborane. Chemical communications (Cambridge, England) (issue 42) (2008) 5345-5347 Space group: P 1 2 1 Cell volume: 4241.3 Cell parameters: 14.804; 10.428; 27.942; 90; 100.501; 90; |
| COD ID: 7116316 | |
| CIF file | Formula: - C368 H502 Cl8 N48 O3 Zn8 - Comments: Sk Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath Step-wise induction, amplification and inversion of molecular chirality through the coordination of chiral diamines with Zn(II) bisporphyrin Chem.Commun. 51 (2015) 895 Space group: P 1 2 1 Cell volume: 8508.6 Cell parameters: 24.876; 13.2663; 26.3877; 90; 102.292; 90; |
| COD ID: 7121497 | |
| CIF file | Formula: - C86 H30 N2 O52 S13.97 Zn12 - Comments: Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu Generation of thiyl radicals in a zinc(ii) porous coordination polymer by light-induced post-synthetic deprotection. Chemical communications (Cambridge, England) 54(38) (2018) 4782-4785 Space group: P 1 2 1 Cell volume: 7282.2 Cell parameters: 23.5616; 10.817; 28.5728; 90; 90.096; 90; |
| COD ID: 7121498 | |
| CIF file | Formula: - C92 H66 O52 S20 Zn12 - Comments: Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu Generation of thiyl radicals in a zinc(ii) porous coordination polymer by light-induced post-synthetic deprotection. Chemical communications (Cambridge, England) 54(38) (2018) 4782-4785 Space group: P 1 2 1 Cell volume: 7327.1 Cell parameters: 23.7128; 10.805; 28.5974; 90; 90.017; 90; |
| COD ID: 7125214 | |
| CIF file | Formula: - C18 H20 N4 O8 - Comments: Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization. Chemical communications (Cambridge, England) 52(92) (2016) 13452-13455 Space group: P 1 2 1 Cell volume: 1989.4 Cell parameters: 8.934; 5.1587; 43.225; 90; 93; 90; |
| COD ID: 7131944 | |
| CIF file | Formula: - C40 H40 Cu3 F6 N4 O8 Si - Comments: Tous-Granados , Alberto M.; Hernandez-Maldonado, Arturo J. A SIFSIX-MOF constructed from a metalloligand yields enhanced stability for selective CO2 adsorption Chemical Communications (2023) Space group: P 1 2 1 Cell volume: 2702.58 Cell parameters: 19.0357; 8.0591; 19.0655; 90; 112.481; 90; |
| COD ID: 7159165 | |
| CIF file | Formula: - C27 H31 N5 O4 - Comments: Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation. Organic & biomolecular chemistry 21(10) (2023) 2213-2219 Space group: P 1 2 1 Cell volume: 2747.8 Cell parameters: 14.621; 7.59; 25.12; 90; 99.705; 90; |
| COD ID: 7159476 | |
| CIF file | Formula: - C46 H42 N O7 P - Comments: Gbubele, Joseph D.; Misiaszek, Tomasz; Siczek, Miłosz; Olszewski, Tomasz K. α-Amido sulphones as useful intermediates in the preparation of <i>C</i>-chiral α-aminophosphonates and α-aminophosphonic acids. Organic & biomolecular chemistry 21(30) (2023) 6180-6191 Space group: P 1 2 1 Cell volume: 3845.4 Cell parameters: 10.768; 11.588; 31.149; 90; 98.37; 90; |
| COD ID: 7214909 | |
| CIF file | Formula: - C164 H312 Dy5 N115 O163 S4 - Comments: Thuéry, Pierre Supramolecular assemblies built from lanthanide ammoniocarboxylates and cucurbit[6]uril CrystEngComm 14(23) (2012) 8128 Space group: P 1 2 1 Cell volume: 14228.5 Cell parameters: 25.4155; 18.8099; 29.8228; 90; 93.6325; 90; |
| COD ID: 7215921 | |
| CIF file | Formula: - C10 N3 O7.5 S - Comments: Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R. Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine CrystEngComm 16(22) (2014) 4732 Space group: P 1 2 1 Cell volume: 1407.17 Cell parameters: 12.8936; 6.6821; 17.1763; 90; 108.031; 90; |
| COD ID: 7707784 | |
| CIF file | Formula: - C88 H68 N4 O6 Zn2 - Comments: Savchuk, Mariia; Vertueux, Steven; Cauchy, Thomas; Loumaigne, Matthieu; Zinna, Francesco; Di Bari, Lorenzo; Zigon, Nicolas; Avarvari, Narcis Schiff-base [4]helicene Zn(II) complexes as chiral emitters. Dalton transactions (Cambridge, England : 2003) 50(30) (2021) 10533-10539 Space group: P 1 2 1 Cell volume: 3389.7 Cell parameters: 19.96; 8.349; 20.342; 90; 90.642; 90; |
| COD ID: 7711591 | |
| CIF file | Formula: - C58 H68 Cu F6 N8 O14 S2 - Comments: Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I. Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes Dalton Transactions (2022) Space group: P 1 2 1 Cell volume: 3684.28 Cell parameters: 19.2084; 10.2197; 19.4085; 90; 104.758; 90; |
| COD ID: 7712227 | |
| CIF file | Formula: - K4 O35 W11 - Comments: Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species Dalton Transactions (2023) Space group: P 1 2 1 Cell volume: 709.1 Cell parameters: 3.8184; 7.2998; 25.44; 90; 90.026; 90; |
| COD ID: 7712228 | |
| CIF file | Formula: - K2 O22 W7 - Comments: Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species Dalton Transactions (2023) Space group: P 1 2 1 Cell volume: 885.13 Cell parameters: 7.3142; 3.8123; 31.947; 90; 96.472; 90; |
| COD ID: 7712229 | |
| CIF file | Formula: - Cs4 O35 W11 - Comments: Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species Dalton Transactions (2023) Space group: P 1 2 1 Cell volume: 743.39 Cell parameters: 7.3357; 3.8684; 26.4516; 90; 97.962; 90; |
| COD ID: 7712230 | |
| CIF file | Formula: - O35 Tl4 W11 - Comments: Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species Dalton Transactions (2023) Space group: P 1 2 1 Cell volume: 714.65 Cell parameters: 7.3114; 3.8154; 25.877; 90; 98.109; 90; |
| COD ID: 7712231 | |
| CIF file | Formula: - O35 Rb4 W11 - Comments: Dutton, Jason Laurence; Sharp-Bucknall, Lachlan; Sceney, Marcus; White, Keith Forrest Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species Dalton Transactions (2023) Space group: P 1 2 1 Cell volume: 721.01 Cell parameters: 3.8369; 7.3201; 25.6712; 90; 90.006; 90; |
| COD ID: 7712484 | |
| CIF file | Formula: - K4 O35 W11 - Comments: Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V. Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties. Dalton transactions (Cambridge, England : 2003) 52(9) (2023) 2770-2785 Space group: P 1 2 1 Cell volume: 709.1 Cell parameters: 3.8184; 7.2998; 25.44; 90; 90.026; 90; |
| COD ID: 7712485 | |
| CIF file | Formula: - K2 O22 W7 - Comments: Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V. Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties. Dalton transactions (Cambridge, England : 2003) 52(9) (2023) 2770-2785 Space group: P 1 2 1 Cell volume: 885.13 Cell parameters: 7.3142; 3.8123; 31.947; 90; 96.472; 90; |
| COD ID: 7712486 | |
| CIF file | Formula: - Cs4 O35 W11 - Comments: Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V. Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties. Dalton transactions (Cambridge, England : 2003) 52(9) (2023) 2770-2785 Space group: P 1 2 1 Cell volume: 743.39 Cell parameters: 7.3357; 3.8684; 26.4516; 90; 97.962; 90; |
| COD ID: 7712487 | |
| CIF file | Formula: - O35 Tl4 W11 - Comments: Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V. Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties. Dalton transactions (Cambridge, England : 2003) 52(9) (2023) 2770-2785 Space group: P 1 2 1 Cell volume: 714.65 Cell parameters: 7.3114; 3.8154; 25.877; 90; 98.109; 90; |
| COD ID: 7712488 | |
| CIF file | Formula: - O35 Rb4 W11 - Comments: Solodovnikov, Sergey F.; Meshalkin, Arkadiy B.; Sukhikh, Aleksandr S.; Solodovnikova, Zoya A.; Zolotova, Evgeniya S.; Yudin, Vasiliy N.; Kadyrova, Yuliya M.; Khaikina, Elena G.; Mateyshina, Yuliya G.; Uvarov, Nikolai F.; Pugachev, Aleksey M.; Kovtunets, Evgeniy V. Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties. Dalton transactions (Cambridge, England : 2003) 52(9) (2023) 2770-2785 Space group: P 1 2 1 Cell volume: 721.01 Cell parameters: 3.8369; 7.3201; 25.6712; 90; 90.006; 90; |
| COD ID: 7715963 | |
| CIF file | Formula: - C28 H39 Cr2 N4 Na O21 - Comments: Dunatov, Marko; Zhao, Zhibo; Žilić, Dijana; Androš Dubraja, Lidija Homochiral tartrate-bridged dinuclear chromium(III) complex anion with resonance-assisted hydrogen bond for proton conduction Dalton Transactions (2024) Space group: P 1 2 1 Cell volume: 3930.98 Cell parameters: 19.981; 8.7003; 22.9085; 90; 99.22; 90; |
| COD ID: 7715964 | |
| CIF file | Formula: - C28 H39 Cr2 N4 Na O21 - Comments: Dunatov, Marko; Zhao, Zhibo; Žilić, Dijana; Androš Dubraja, Lidija Homochiral tartrate-bridged dinuclear chromium(III) complex anion with resonance-assisted hydrogen bond for proton conduction Dalton Transactions (2024) Space group: P 1 2 1 Cell volume: 3894.02 Cell parameters: 21.0907; 8.6541; 22.8011; 90; 110.661; 90; |
| COD ID: 7715965 | |
| CIF file | Formula: - C28 H39 Cr2 N4 Na O21 - Comments: Dunatov, Marko; Zhao, Zhibo; Žilić, Dijana; Androš Dubraja, Lidija Homochiral tartrate-bridged dinuclear chromium(III) complex anion with resonance-assisted hydrogen bond for proton conduction Dalton Transactions (2024) Space group: P 1 2 1 Cell volume: 3894.02 Cell parameters: 21.0907; 8.6541; 22.8011; 90; 110.661; 90; |
| COD ID: 9000170 | |
| CIF file | Formula: - Al0.885 Ca1.165 Fe0.31 Mg0.805 Na0.835 O12 Si4 - Comments: Clark, J. R.; Papike, J. J. Crystal-chemical characterization of omphacites American Mineralogist 53 (1968) 840-868 Space group: P 1 2 1 Cell volume: 423.932 Cell parameters: 9.596; 8.771; 5.265; 90; 106.93; 90; |
| COD ID: 9004504 | |
| CIF file | Formula: - C H15 Na O12 Y - Comments: Grice, J. D.; Gault, R. A. Thomasclarkite-(Y), a new sodium - rare-earth-element bicarbonate mineral species from Mont Saint-Hilaire, Quebec Note: z-coodinate for OH2 changed. The Canadian Mineralogist 36 (1998) 1293-1300 Space group: P 1 2 1 Cell volume: 270.215 Cell parameters: 4.556; 13.018; 4.556; 90; 90.15; 90; |
| COD ID: 9006306 | |
| CIF file | Formula: - O2 Si - Comments: Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T. Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 23 Physics and Chemistry of Minerals 21 (1994) 269-284 Space group: P 1 2 1 Cell volume: 124.993 Cell parameters: 4.1605; 4.1294; 7.4211; 90; 101.375; 90; |
| COD ID: 9017684 | |
| CIF file | Formula: - Bi12.667 O34 S5 - Comments: Garavelli, A.; Pinto, D.; Mitolo, D.; Bindi, L. Leguernite, Bi12.67O14(SO4)5, a new Bi oxysulfate from the fumarole deposit of La Fossa crater, Vulcano, Aeolian Islands, Italy Note: O17 y-coordinate changed to reproduce reported bond lengths Mineralogical Magazine 78 (2014) 1629-1645 Space group: P 1 2 1 Cell volume: 748.391 Cell parameters: 11.2486; 5.6568; 11.9139; 90; 99.177; 90; |
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