Crystallography Open Database
Search results
Result : There are 36 entries in the selection
You can download the COD numbers of the selection as a text file
You can download all files as a single ZIP archive
Searching space group like 'I 21 21 21'
| COD ID: 1572328 | |
| CIF file | Formula: - C76 H100 Br4 N8 O10 - Comments: Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G. Dynamic and solid-state behaviour of bromoisotrianglimine. Chemical science 15(35) (2024) 14254-14263 Space group: I 21 21 21 Cell volume: 7644.6 Cell parameters: 16.345; 17.4893; 26.7421; 90; 90; 90; |
| COD ID: 2013563 | |
| CIF file | Formula: - C4 H6 Cl2 Cu N6 O - Comments: Guédira, Fouzia; Saidi Idrissi, Malika; Krautscheid, Harald; El Ammari, Lahcen μ-3,4'-Bi-1,2,4-triazole-di-μ-chloro-cuivre(II) monohydraté Acta Crystallographica Section C 59(12) (2003) m530-m532 Space group: I 21 21 21 Cell volume: 884 Cell parameters: 6.6915; 7.1211; 18.551; 90; 90; 90; |
| COD ID: 2210931 | |
| CIF file | Formula: - C26 H15 Co N4 O4.5 - Comments: Qing-Wei Wang; Qing-Long Meng; Zhi-Xin Yu; Xiao-Hong Zhao <i>catena</i>-Poly[[[(dipyrido[3,2-<i>a</i>:2',3'-<i>c</i>]phenazine)cobalt(II)]-μ-benzene-1,3-dicarboxylato] hemihydrate] Acta Crystallographica Section E 62(11) (2006) m3009-m3011 Space group: I 21 21 21 Cell volume: 4223.3 Cell parameters: 9.802; 13.696; 31.459; 90; 90; 90; |
| COD ID: 4064467 | |
| CIF file | Formula: - C28 H38 Au2 F12 N8 O5 P2 - Comments: Carcedo, Cristina; Knight, James C.; Pope, Simon J. A.; Fallis, Ian A.; Dervisi, Athanasia Chiral Silver and Gold Rings: Synthesis and Structural, Spectroscopic, and Photophysical Properties of Ag and Au Metallamacrocycles of Bridging NHC Ligands Organometallics 30(9) (2011) 2553 Space group: I 21 21 21 Cell volume: 4667.2 Cell parameters: 13.224; 17.031; 20.723; 90; 90; 90; |
| COD ID: 4104618 | |
| CIF file | Formula: - C30 H35 Au F6 N3 P - Comments: Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies Journal of the American Chemical Society 131 (2009) 9076-9085 Space group: I 21 21 21 Cell volume: 9456 Cell parameters: 14.153; 23.683; 28.211; 90; 90; 90; |
| COD ID: 4113679 | |
| CIF file | Formula: - C50 H44 Br N3 - Comments: Takashi Ooi; Minoru Kameda; Keiji Maruoka Design of N-Spiro C2-Symmetric Chiral Quaternary Ammonium Bromides as Novel Chiral Phase-Transfer Catalysts: Synthesis and Application to Practical Asymmetric Synthesis of α-Amino Acids Journal of the American Chemical Society 125 (2003) 5139-5151 Space group: I 21 21 21 Cell volume: 3996 Cell parameters: 14.6723; 25.127; 10.839; 90; 90; 90; |
| COD ID: 4124088 | |
| CIF file | Formula: - Ga8.2 H23 K8.16 O51.5 Si11.8 - Comments: Lee Yongjae; Celestian, A.J.; Kim Sun Jin; Bull, I.; Kao Chichang; Parise, J.B.; Vogt, T. Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite Journal of the American Chemical Society 129 (2007) 13744-13748 Space group: I 21 21 21 Cell volume: 1246.29 Cell parameters: 13.7948; 13.7061; 6.5916; 90; 90; 90; |
| COD ID: 4124089 | |
| CIF file | Formula: - Ga8.2 H22.6 K8 O51.3 Si11.8 - Comments: Lee Yongjae; Kim Sun Jin; Bull, I.; Kao Chichang; Celestian, A.J.; Parise, J.B.; Vogt, T. Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite Journal of the American Chemical Society 129 (2007) 13744-13748 Space group: I 21 21 21 Cell volume: 1223.05 Cell parameters: 13.7298; 13.5815; 6.5589; 90; 90; 90; |
| COD ID: 4124090 | |
| CIF file | Formula: - Ga8.2 H23.2 K8 O51.6 Si11.8 - Comments: Lee Yongjae; Kim Sun Jin; Celestian, A.J.; Bull, I.; Parise, J.B.; Kao Chichang; Vogt, T. Dehydration-induced water disordering in a synthetic potassium gallosilicate natrolite Journal of the American Chemical Society 129 (2007) 13744-13748 Space group: I 21 21 21 Cell volume: 1234.86 Cell parameters: 13.7587; 13.655; 6.5728; 90; 90; 90; |
| COD ID: 4306081 | |
| CIF file | Formula: - C9 H9 Ag B F4 N5 - Comments: Blanca R. Manzano; Félix A. Jalón; M. Laura Soriano; M. Carmen Carrión; M. Pilar Carranza; Kurt Mereiter; Ana M. Rodríguez; Antonio de la Hoz; Ana Sánchez-Migallón Anion-Dependent Self-Assembly of Silver(I) and Diaminotriazines to Coordination Polymers: Non-Covalent Bonds and Role Interchange between Silver and Hydrogen Bonds Inorganic Chemistry 47 (2008) 8957-8971 Space group: I 21 21 21 Cell volume: 1822.8 Cell parameters: 12.017; 12.231; 12.402; 90; 90; 90; |
| COD ID: 4306083 | |
| CIF file | Formula: - C10 H11 Ag B F4 N5 - Comments: Blanca R. Manzano; Félix A. Jalón; M. Laura Soriano; M. Carmen Carrión; M. Pilar Carranza; Kurt Mereiter; Ana M. Rodríguez; Antonio de la Hoz; Ana Sánchez-Migallón Anion-Dependent Self-Assembly of Silver(I) and Diaminotriazines to Coordination Polymers: Non-Covalent Bonds and Role Interchange between Silver and Hydrogen Bonds Inorganic Chemistry 47 (2008) 8957-8971 Space group: I 21 21 21 Cell volume: 1940.7 Cell parameters: 11.6841; 11.9242; 13.9294; 90; 90; 90; |
| COD ID: 4334759 | |
| CIF file | Formula: - C46 H42 F18 N13 P3 Ru2 - Comments: Misaki Makino; Tomoya Ishizuka; Shingo Ohzu; Jiang Hua; Hiroaki Kotani; Takahiko Kojima Synthesis and Characterization of an Azido-Bridged Dinuclear Ruthenium(II) Polypyridylamine Complex Forming a Mixed-Valence State Inorganic Chemistry 52 (2013) 5507-5514 Space group: I 21 21 21 Cell volume: 6776 Cell parameters: 12.914; 13.12; 39.995; 90; 90; 90; |
| COD ID: 4340105 | |
| CIF file | Formula: - C34 H72 Au Eu0.5 N8 O12 Tb0.5 - Comments: Ahern, John C.; Roberts, Ryan J.; Follansbee, Philip; McLaughlin, Jeffrey; Leznoff, Daniel B.; Patterson, Howard H. Structure and Emissive Properties of Heterobimetallic Ln-Au Coordination Polymers: Role of Tb and Eu in Non-aurophilic [(n)Bu4N]2[Ln(NO3)4Au(CN)2] versus Aurophilic Ln[Au(CN)2]3·3H2O/3D2O Chains. Inorganic chemistry 53(14) (2014) 7571-7579 Space group: I 21 21 21 Cell volume: 5052.8 Cell parameters: 12.0199; 12.0211; 34.969; 90; 90; 90; |
| COD ID: 4347763 | |
| CIF file | Formula: - C48 H62 N12 O18 Zn3 - Comments: Wu, Xin; Xu, Zhong-Xuan; Wang, Fei; Zhang, Jian Catenation of Homochiral Metal-Organic Nanocages or Nanotubes. Inorganic chemistry 55(11) (2016) 5095-5097 Space group: I 21 21 21 Cell volume: 9768.1 Cell parameters: 17.3386; 22.809; 24.6996; 90; 90; 90; |
| COD ID: 7002481 | |
| CIF file | Formula: - C62 H76 Cd2 N6 O16 - Comments: Hao, Xiang-Rong; Wang, Xin-Long; Su, Zhong-Min; Shao, Kui-Zhan; Zhao, Ya-Hui; Lan, Ya-Qian; Fu, Yao-Mei Two unprecedented porous anionic frameworks: organoammonium templating effects and structural diversification Dalton Transactions (issue 40) (2009) 8562-8566 Space group: I 21 21 21 Cell volume: 6503 Cell parameters: 8.207; 27.618; 28.692; 90; 90; 90; |
| COD ID: 7009833 | |
| CIF file | Formula: - C42 H30 Ag2 F12 P2 S6 - Comments: Suenaga, Yusaku; Kuroda-Sowa, Takayoshi; Maekawa, Masahiko; Munakata, Megumu Three-dimensional silver(I) co-ordination polymer with pocket structures Journal of the Chemical Society, Dalton Transactions (issue 20) (2000) 3620 Space group: I 21 21 21 Cell volume: 9423 Cell parameters: 19.086; 19.06; 25.9042; 90; 90; 90; |
| COD ID: 7016817 | |
| CIF file | Formula: - C30 H20 Ag4 N4 O9 - Comments: Li, Bo; Zang, Shuang-Quan; Ji, Can; Liang, Ran; Hou, Hong-Wei; Wu, Yang-Jie; Mak, Thomas C. W. Syntheses, structures and properties of silver-organic frameworks constructed with 1,2,3,4-benzenetetracarboxylic acid. Dalton transactions (Cambridge, England : 2003) 40(39) (2011) 10071-10081 Space group: I 21 21 21 Cell volume: 2804 Cell parameters: 11.3486; 14.1073; 17.514; 90; 90; 90; |
| COD ID: 7019289 | |
| CIF file | Formula: - C34 H72 Au N8 Nd O12 - Comments: Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B. Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains. Dalton transactions (Cambridge, England : 2003) 41(23) (2012) 6992-6997 Space group: I 21 21 21 Cell volume: 5000.2 Cell parameters: 11.8889; 11.9354; 35.238; 90; 90; 90; |
| COD ID: 7019290 | |
| CIF file | Formula: - C34 H72 Au Eu N8 O12 - Comments: Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B. Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains. Dalton transactions (Cambridge, England : 2003) 41(23) (2012) 6992-6997 Space group: I 21 21 21 Cell volume: 5062 Cell parameters: 12.0175; 12.0203; 35.042; 90; 90; 90; |
| COD ID: 7019291 | |
| CIF file | Formula: - C34 H72 Au Gd N8 O12 - Comments: Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B. Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains. Dalton transactions (Cambridge, England : 2003) 41(23) (2012) 6992-6997 Space group: I 21 21 21 Cell volume: 5054.91 Cell parameters: 11.9857; 12.0414; 35.0246; 90; 90; 90; |
| COD ID: 7019292 | |
| CIF file | Formula: - C34 H72 Au N8 O12 Tb - Comments: Roberts, Ryan J.; Li, Xiaobo; Lacey, Tye F.; Pan, Zhong; Patterson, Howard H.; Leznoff, Daniel B. Heterobimetallic lanthanide-gold coordination polymers: structure and emissive properties of isomorphous [(n)Bu(4)N](2)[Ln(NO(3))(4)Au(CN)(2)] 1-D chains. Dalton transactions (Cambridge, England : 2003) 41(23) (2012) 6992-6997 Space group: I 21 21 21 Cell volume: 5040.7 Cell parameters: 12.0111; 12.0111; 34.9402; 90; 90; 90; |
| COD ID: 7036684 | |
| CIF file | Formula: - C42 H24 O19 P2 U2 - Comments: Wang, Yanlong; Li, Yuxiang; Bai, Zhuanling; Xiao, Chengliang; Liu, Zhiyong; Liu, Wei; Chen, Lanhua; He, Weiwei; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao Design and synthesis of a chiral uranium-based microporous metal organic framework with high SHG efficiency and sequestration potential for low-valent actinides. Dalton transactions (Cambridge, England : 2003) 44(43) (2015) 18810-18814 Space group: I 21 21 21 Cell volume: 10831 Cell parameters: 19.552; 21.898; 25.297; 90; 90; 90; |
| COD ID: 7056596 | |
| CIF file | Formula: - C30 H26 N4 O4 Zn - Comments: Zhang, Mei-Li; Wang, Ji-Jiang; Ma, Zhen-Zhen; Qiao, Lei Color tunable entangled coordination polymers based on long flexible bis(imidazole) ligands and phenylenediacetate New J. Chem. (2017) Space group: I 21 21 21 Cell volume: 2803.4 Cell parameters: 12.5644; 14.395; 15.5; 90; 90; 90; |
| COD ID: 7103033 | |
| CIF file | Formula: - C32 H40 B2 Cl Eu F8 N8 - Comments: Wada, Atsushi; Watanabe, Masayuki; Yamanoi, Yoshinori; Nishihara, Hiroshi Modification of the luminescence spectra of chloro(tetrapyridylcyclotetramine)europium complexes by fine tuning of the Eu-Cl distance with outer-sphere counterions in the solid state, in a polymer matrix and in solution. Chemical communications (Cambridge, England) (issue 14) (2008) 1671-1673 Space group: I 21 21 21 Cell volume: 3577.7 Cell parameters: 10.836; 16.259; 20.307; 90; 90; 90; |
| COD ID: 7103341 | |
| CIF file | Formula: - C4 H6 Br2 Cd N6 O - Comments: Zhang, Rui-Bo; Zhang, Jian; Li, Zhao-Ji; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen Controlled generation of acentric and homochiral coordination compounds from a versatile asymmetric ligand 4-(1H-1,2,4-triazol-3-yl)-4H-1,2,4-triazole. Chemical communications (Cambridge, England) (issue 35) (2008) 4159-4161 Space group: I 21 21 21 Cell volume: 1048.1 Cell parameters: 7.512; 19.532; 7.143; 90; 90; 90; |
| COD ID: 7106667 | |
| CIF file | Formula: - C27 H31 N O22 Sc3 - Comments: Ilich A. Ibarra; Sihai Yang; Xiang Lin; Alexander J. Blake; Pierre J. Rizkallah; Harriott Nowell; David R. Allan; Neil R. Champness; Peter Hubberstey; Martin Schroder Highly Porous and Robust Scandium-based Metal-Organic Frameworks for Hydrogen Storage Chem.Commun. 47 (2011) 8304 Space group: I 21 21 21 Cell volume: 8751 Cell parameters: 15.352; 12.385; 46.027; 90; 90; 90; |
| COD ID: 7126107 | |
| CIF file | Formula: - C12 H18 Ag3 F2 O2 S2 - Comments: Wang, Jia-Yin; Li, Wen-Hua; Wei, Zhong; Zhang, Chong; Li, Ya-Hui; Dong, Xi-Yan; Xu, Gang; Zang, Shuang-Quan A hydrophobic semiconducting metal-organic framework assembled from silver chalcogenide wires. Chemical communications (Cambridge, England) 56(14) (2020) 2091-2094 Space group: I 21 21 21 Cell volume: 5944.7 Cell parameters: 11.3195; 22.5808; 23.2576; 90; 90; 90; |
| COD ID: 7212070 | |
| CIF file | Formula: - C7 H11 La N10 O6 - Comments: Rodríguez-Diéguez, A.; Salinas-Castillo, A.; Sironi, A.; Seco, J. M.; Colacio, E. A chiral diamondoid 3D lanthanum metal‒organic framework displaying blue-greenish long lifetime photoluminescence emission CrystEngComm 12(6) (2010) 1876 Space group: I 21 21 21 Cell volume: 1527.79 Cell parameters: 8.884; 13.093; 13.1346; 90; 90; 90; |
| COD ID: 7214894 | |
| CIF file | Formula: - C113 H109 F36 N24 O15 P6 Ru3 S3 - Comments: Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline CrystEngComm 14(23) (2012) 8023 Space group: I 21 21 21 Cell volume: 14348.9 Cell parameters: 20.215; 20.9756; 33.84; 90; 90; 90; |
| COD ID: 7216574 | |
| CIF file | Formula: - C36 H92 Cl6 Co Cr N12 O4 - Comments: Kalf, Irmgard; Calmuschi, Beatrice; Englert, Ulli Chiral Cr(iii) and Co(iii) complex cations as building blocks for ordered and disordered salts CrystEngComm 4(91) (2002) 548 Space group: I 21 21 21 Cell volume: 5026 Cell parameters: 18.924; 19.117; 13.892; 90; 90; 90; |
| COD ID: 7236291 | |
| CIF file | Formula: - C34 H27 Cd N4 O4.5 - Comments: Meng, Xiang-min; Zhang, Xia; Qi, Peng-fei; Zong, Zi-ao; Jin, Fan; Fan, Yu-hua Syntheses, structures, luminescent and photocatalytic properties of various polymers based on a “V”-shaped dicarboxylic acid RSC Advances 7(9) (2017) 4855 Space group: I 21 21 21 Cell volume: 3035.7 Cell parameters: 14.0719; 21.6271; 9.975; 90; 90; 90; |
| COD ID: 7709096 | |
| CIF file | Formula: - C51 H59 Br N3 O5 Re - Comments: Álvarez-García, Jonathan; García-Lago, Ramón; Alonso-Gómez, José Lorenzo; López, Carlos Silva; Cid, María Magdalena Accessible triplet excited states in the photoisomerization of allenes with extended conjugation. Dalton transactions (Cambridge, England : 2003) 51(4) (2022) 1357-1363 Space group: I 21 21 21 Cell volume: 10248.5 Cell parameters: 15.6986; 24.7762; 26.3491; 90; 90; 90; |
| COD ID: 7711113 | |
| CIF file | Formula: - C6 H14 La N7 O10 - Comments: Essalhi, Mohamed; Mohan, Midhun; Marineau-Plante, Gabriel; Schlachter, Adrien Camille; Maris, Thierry; Harvey, Pierre D.; Duong, Adam S-Heptazine N-Ligand Based Luminescent Coordination Materials: Synthesis, Structural and Luminescent Studies of Lanthanide-Cyamelurate Networks Dalton Transactions (2022) Space group: I 21 21 21 Cell volume: 1344.9 Cell parameters: 6.5379; 10.6082; 19.3914; 90; 90; 90; |
| COD ID: 9006301 | |
| 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: 18 Physics and Chemistry of Minerals 21 (1994) 269-284 Space group: I 21 21 21 Cell volume: 283.269 Cell parameters: 4.1154; 4.4201; 15.5724; 90; 90; 90; |
| COD ID: 9012181 | |
| CIF file | Formula: - Al F7 Mg Na2 - Comments: Knop, O.; Cameron, T. S.; Jochem, K. What is the true space group of weberite? Sample: I2_12_12_1 refinement, T = ambient Note: y(F6) and z(F6) corrected Journal of Solid State Chemistry 43 (1982) 213-221 Space group: I 21 21 21 Cell volume: 512.022 Cell parameters: 7.051; 9.968; 7.285; 90; 90; 90; |
| COD ID: 9012182 | |
| CIF file | Formula: - Al F7 Mg Na2 - Comments: Knop, O.; Cameron, T. S.; Jochem, K. What is the true space group of weberite? Sample: I2_12_12_1 refinement, T = 133 K Note: y(F6) and z(F6) corrected Journal of Solid State Chemistry 43 (1982) 213-221 Space group: I 21 21 21 Cell volume: 513.358 Cell parameters: 7.05; 9.979; 7.297; 90; 90; 90; |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!