Crystallography Open Database
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Searching space group like 'I 21 3'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1542261 | CIF | C88.49 H103.18 Cl20.98 N12 O5.1 Pd6 | I 21 3 | 31.4043; 31.4043; 31.4043 90; 90; 90 | 30971.9 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
| 1542262 | CIF | C88.52 H103.31 Cl21.04 N12 O5.14 Pd6 | I 21 3 | 31.4477; 31.4477; 31.4477 90; 90; 90 | 31100.4 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
| 1558863 | CIF | C30 H54 Au3 Co2 N6 Na3.33 O45 S6 | I 21 3 | 41.171; 41.171; 41.171 90; 90; 90 | 69787 | Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine Chemical Science, 2020 |
| 1558864 | CIF | C30 H54 Au3 Co2 N6 Na3.33 O45 S6 | I 21 3 | 41.407; 41.407; 41.407 90; 90; 90 | 70994 | Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine Chemical Science, 2020 |
| 1570660 | CIF | C3 N O | I 21 3 | 4.60193; 4.60193; 4.60193 90; 90; 90 | 97.459 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570675 | CIF | C3 O | I 21 3 | 4.09382; 4.09382; 4.09382 90; 90; 90 | 68.61 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 2002342 | CIF | Ba3 Cl2 Fe2 O5 | I 21 3 | 9.9705; 9.9705; 9.9705 90; 90; 90 | 991.2 | Leib, W; Mueller-Buschbaum, Hk Ein neuer Bautyp der Oxohalogenferrate: Ba3 Fe2 O5 Cl2 und Ba3 Fe2 O5 Br2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1985, 521, 51-56 |
| 2002343 | CIF | Ba3 Br2 Fe2 O5 | I 21 3 | 10.0039; 10.0039; 10.0039 90; 90; 90 | 1001.2 | Leib, W; Mueller-Buschbaum, Hk Ein neuer Bautyp der Oxohalogenferrate: Ba3 Fe2 O5 Cl2 und Ba3 Fe2 O5 Br2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1985, 521, 51-56 |
| 2107258 | CIF | F6 H3 O Sb | I 21 3 | 10.12; 10.12; 10.12 90; 90; 90 | 1036.43 | Larson, E.M.; Larson, A.C.; Abney, K.D.; Eller, P.G. Structure of oxonium hexafluoroantimonate(V) Acta Crystallographica B (39,1983-), 1991, 47, 206-209 |
| 2310270 | CIF | Co U | I 21 3 | 6.3557; 6.3557; 6.3557 90; 90; 90 | 256.738 | Baenziger, N.C.; Rundle, R.E.; Snow, A.I.; Wilson, A.S. Compounds of uranium with the transition metals of the first long period Acta Crystallographica (1,1948-23,1967), 1950, 3, 34-40 |
| 4034165 | CIF | C56 H58 O13 | I 21 3 | 33.5971; 33.5971; 33.5971 90; 90; 90 | 37923 | Baydoun, Orsola; De Rycke, Nicolas; Léonce, Estelle; Boutin, Céline; Berthault, Patrick; Jeanneau, Erwann; Brotin, Thierry Synthesis of Cryptophane-223-Type Derivatives with Dual Functionalization. The Journal of organic chemistry, 2019, 84, 9127-9137 |
| 4107450 | CIF | C73.33 H62.67 Cl2 O5.33 Rh2 S4 | I 21 3 | 28.7957; 28.7957; 28.7957 90; 90; 90 | 23877.2 | Ronaldo Mariz; Xinjun Luan; Michele Gatti; Anthony Linden; Reto Dorta A Chiral Bis-Sulfoxide Ligand in Late-Transition Metal Catalysis; Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to Electron-Deficient Olefins Journal of the American Chemical Society, 2008, 130, 2172-2173 |
| 4120589 | CIF | C48 H27 N0 O16 Zn4 | I 21 3 | 28.867; 28.867; 28.867 90; 90; 90 | 24055 | Mo, Ke; Yang, Yuhua; Cui, Yong A homochiral metal-organic framework as an effective asymmetric catalyst for cyanohydrin synthesis. Journal of the American Chemical Society, 2014, 136, 1746-1749 |
| 4123367 | CIF | C24 H42 F6 Fe2 N8 O9 S2 | I 21 3 | 22.61; 22.61; 22.61 90; 90; 90 | 11558.5 | Brines, Lisa M.; Coggins, Michael K.; Poon, Penny Chaau Yan; Toledo, Santiago; Kaminsky, Werner; Kirk, Martin L.; Kovacs, Julie A. Water-Soluble Fe(II)-H2O Complex with a Weak O-H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)-OH. Journal of the American Chemical Society, 2015, 137, 2253-2264 |
| 4123963 | CIF | As3 H6 N O13 Zn4 | I 21 3 | 13.8527; 13.8527; 13.8527 90; 90; 90 | 2658.3 | Feng, P.-Y.; Zhang, T.-Z.; Bu Xianhui Arsenate zeolite analogues with 11 topological types Journal of the American Chemical Society, 2001, 123, 8608-8609 |
| 4125032 | CIF | C60 O13 Zn4 | I 21 3 | 35.755; 35.755; 35.755 90; 90; 90 | 45710 | Zhang, Qiongqiong; Zhang, Cankun; Cao, Lingyun; Wang, Zi; An, Bing; Lin, Zekai; Huang, Ruiyun; Zhang, Zhiming; Wang, Cheng; Lin, Wenbin Förster Energy Transport in Metal-Organic Frameworks Is Beyond Step-by-Step Hopping. Journal of the American Chemical Society, 2016, 138, 5308-5315 |
| 4126200 | CIF | C660 H570 Eu10 N90 O60 | I 21 3 | 61.483; 61.483; 61.483 90; 90; 90 | 232416 | Li, Xiao-Zhen; Zhou, Li-Peng; Yan, Liang-Liang; Yuan, Da-Qiang; Lin, Chen-Sheng; Sun, Qing-Fu Evolution of Luminescent Supramolecular Lanthanide M2nL3n Complexes from Helicates and Tetrahedra to Cubes. Journal of the American Chemical Society, 2017, 139, 8237-8244 |
| 4300682 | CIF | B H10 Li4 N3 | I 21 3 | 10.6794; 10.6794; 10.6794 90; 90; 90 | 1218 | Inorganic Chemistry, 2006 |
| 4300683 | CIF | B H10 Li4 N3 | I 21 3 | 10.6723; 10.6723; 10.6723 90; 90; 90 | 1215.6 | Inorganic Chemistry, 2006 |
| 4305967 | CIF | C162 H222 Cl Co2 K3 O30 | I 21 3 | 27.046; 27.046; 27.046 90; 90; 90 | 19784 | Yu-Juan Liu; Jie-Sheng Huang; Stephen Sin-Yin Chui; Cheng-Hui Li; Jing-Lin Zuo; Nianyong Zhu; Chi-Ming Che A Noncentrosymmetric 3D Coordination Polymer of Metallocalix[4]arene Inorganic Chemistry, 2008, 47, 11514-11518 |
| 4305968 | CIF | C162 H222 Cl Co2 O30 Rb3 | I 21 3 | 27.083; 27.083; 27.083 90; 90; 90 | 19865 | Yu-Juan Liu; Jie-Sheng Huang; Stephen Sin-Yin Chui; Cheng-Hui Li; Jing-Lin Zuo; Nianyong Zhu; Chi-Ming Che A Noncentrosymmetric 3D Coordination Polymer of Metallocalix[4]arene Inorganic Chemistry, 2008, 47, 11514-11518 |
| 4334095 | CIF | C3 H3 Co Na O6 | I 21 3 | 9.0327; 9.0327; 9.0327 90; 90; 90 | 736.98 | Jiong-Peng Zhao; Song-De Han; Ran Zhao; Qian Yang; Ze Chang; Xian-He Bu Tuning the Structure and Magnetism of Heterometallic Sodium(1+)-Cobalt(2+) Formate Coordination Polymers by Varying the Metal Ratio and Solvents Inorganic Chemistry, 2013, 52, 2862-2869 |
| 4345863 | CIF | C75 Mn2 N12 O45 Tb8 | I 21 3 | 23.964; 23.964; 23.964 90; 90; 90 | 13762 | Dong, Jie; Xu, Hang; Hou, Sheng-Li; Wu, Zhi-Lei; Zhao, Bin Metal‒Organic Frameworks with Tb4 Clusters as Nodes: Luminescent Detection of Chromium(VI) and Chemical Fixation of CO2 Inorganic Chemistry, 2017 |
| 5910020 | CIF | O3 Sm2 | I 21 3 | 10.85; 10.85; 10.85 90; 90; 90 | 1277.29 | Wyckoff, R. W. G. Page 254 from the second edition of Structure of Crystals by Wyckoff. published by The Chemical Catalog Company, INC, New York in 1931 & www.crystallography.net The second edition of Structure of Crystals, 1931, 254-254 |
| 7018474 | CIF | C22 H25 Ca O11 P | I 21 3 | 17.1078; 17.1078; 17.1078 90; 90; 90 | 5007.1 | Ibarra, Ilich A.; Tan, Kristina E.; Lynch, Vincent M.; Humphrey, Simon M. CO(2) adsorption properties of a Ca(ii)-based organophosphonium coordination material. Dalton transactions (Cambridge, England : 2003), 2012, 41, 3920-3923 |
| 7018475 | CIF | C22 H24 Ca O10.5 P | I 21 3 | 17.124; 17.124; 17.124 90; 90; 90 | 5021.3 | Ibarra, Ilich A.; Tan, Kristina E.; Lynch, Vincent M.; Humphrey, Simon M. CO(2) adsorption properties of a Ca(ii)-based organophosphonium coordination material. Dalton transactions (Cambridge, England : 2003), 2012, 41, 3920-3923 |
| 7037542 | CIF | C24 H59 Ge3 In6 N4 O5.5 S17 | I 21 3 | 18.6836; 18.6836; 18.6836 90; 90; 90 | 6522 | Han, Xiaohui; Wang, Zhenqing; Xu, Jin; Liu, Dan; Wang, Cheng A crown-like heterometallic unit as the building block for a 3D In-Ge-S framework. Dalton transactions (Cambridge, England : 2003), 2015, 44, 19768-19771 |
| 7043533 | CIF | C52 H55 O5 P | I 21 3 | 38.0572; 38.0572; 38.0572 90; 90; 90 | 55120.2 | Elaieb, Fethi; Sémeril, David; Matt, Dominique; Pfeffer, Michel; Bouit, Pierre-Antoine; Hissler, Muriel; Gourlaouen, Christophe; Harrowfield, Jack Calix[4]arene-fused phospholes Dalton Trans., 2017 |
| 7101189 | CIF | B H10 Li4 N3 | I 21 3 | 10.66445; 10.66445; 10.66445 90; 90; 90 | 1212.88 | P.A.Chater; W.I.F.David; S.R.Johnson; P.P.Edwards; P.A.Anderson Synthesis and Crystal Structure of Li4BH4(NH2)3 Chemical Communications, 2006 |
| 7101190 | CIF | B H10 Li4 N3 | I 21 3 | 10.6738; 10.6738; 10.6738 90; 90; 90 | 1216.05 | P.A.Chater; W.I.F.David; S.R.Johnson; P.P.Edwards; P.A.Anderson Synthesis and Crystal Structure of Li4BH4(NH2)3 Chemical Communications, 2006 |
| 7101299 | CIF | C98 H62 Ag3 B3 Br6 Cl6 F12 N6 O15 | I 21 3 | 23.8747; 23.8747; 23.8747 90; 90; 90 | 13608.6 | Mir Wais Hosseini; Philippe Grosshans; Abdelaziz Jouaiti; Nathalie Kyritsakas; Jean-Marc Planeix Orthogonal packing of enantiomerically pure helical silver coordination networks Chemical Communications, 2006 |
| 7104067 | CIF | Cl Cu H3 N | I 21 3 | 8.4135; 8.4135; 8.4135 90; 90; 90 | 595.57 | Wagner Matthias; Jan W. Bats; Michael Bolte; Hans-Wolfram Lerner; Gunter Margraf One- and three-dimensional infinite arrays of Cu(I) centres exhibited by [Cu(NH3)2]Br and [Cu(NH3)Cl] in the solid state. Chemical communications (Cambridge, England), 2003 |
| 7110105 | CIF | C3 H6 Er2 O10.5 P3 | I 21 3 | 13.4484; 13.4484; 13.4484 90; 90; 90 | 2432.27 | Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates Chem.Commun., 2013, 49, 11668 |
| 7110106 | CIF | C H2.33 O6.67 P2 Y1.33 | I 21 3 | 13.5171; 13.5171; 13.5171 90; 90; 90 | 2469.74 | Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates Chem.Commun., 2013, 49, 11668 |
| 7110107 | CIF | C3 H8 Er2 O11.5 P3 | I 21 3 | 13.4618; 13.4618; 13.4618 90; 90; 90 | 2439.55 | Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates Chem.Commun., 2013, 49, 11668 |
| 7110108 | CIF | Er2 O10.5 P3 | I 21 3 | 13.4291; 13.4291; 13.4291 90; 90; 90 | 2421.81 | Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates Chem.Commun., 2013, 49, 11668 |
| 7110109 | CIF | C1.5 H1.5 Er2 O9 P3 | I 21 3 | 13.4315; 13.4315; 13.4315 90; 90; 90 | 2423.11 | Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates Chem.Commun., 2013, 49, 11668 |
| 7110110 | CIF | C H3 Er2 O11.5 P3 | I 21 3 | 13.4154; 13.4154; 13.4154 90; 90; 90 | 2414.41 | Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates Chem.Commun., 2013, 49, 11668 |
| 7110111 | CIF | C3 H8 Dy2 O11.5 P3 | I 21 3 | 13.5416; 13.5416; 13.5416 90; 90; 90 | 2483.19 | Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates Chem.Commun., 2013, 49, 11668 |
| 7110112 | CIF | C3 H8 O11.5 P3 Tb2 | I 21 3 | 13.6178; 13.6178; 13.6178 90; 90; 90 | 2525.35 | Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates Chem.Commun., 2013, 49, 11668 |
| 7110113 | CIF | C3 H8 O11.5 P3 Y2 | I 21 3 | 13.4853; 13.4853; 13.4853 90; 90; 90 | 2452.35 | Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates Chem.Commun., 2013, 49, 11668 |
| 7110114 | CIF | C3 H8 Er2 O11.5 P3 | I 21 3 | 13.52; 13.52; 13.52 90; 90; 90 | 2471.33 | Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates Chem.Commun., 2013, 49, 11668 |
| 7110115 | CIF | H2 O11.5 P3 Y2 | I 21 3 | 13.3727; 13.3727; 13.3727 90; 90; 90 | 2391.43 | Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates Chem.Commun., 2013, 49, 11668 |
| 7110116 | CIF | C3 H8 Ho2 O11.5 P3 | I 21 3 | 13.533; 13.533; 13.533 90; 90; 90 | 2478.46 | Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates Chem.Commun., 2013, 49, 11668 |
| 7110421 | CIF | C109.5 H116.25 Cu3 F18 N12.75 P3 | I 21 3 | 36.533; 36.533; 36.533 90; 90; 90 | 48759 | Constable, Edwin C.; Housecroft, Catherine E.; Kulke, Torsten; Baum, Gerhard; Fenske, Dieter Chiral 1,2-ethanediyl-spaced quaterpyridines give a library of cyclic and double helicates with copper(I) Chemical Communications, 1999, 195 |
| 7128637 | CIF | Bi2 Pt3 S2 | I 21 3 | 8.4111; 8.4111; 8.4111 90; 90; 90 | 595.1 | Fang, Yuqiang; Wang, Sishun; Lin, Gaoxin; Wang, Xin; Huang, Fuqiang A new compound Pt<sub>3</sub>Bi<sub>2</sub>S<sub>2</sub> with superior performance for the hydrogen evolution reaction. Chemical communications (Cambridge, England), 2021, 57, 7946-7949 |
| 7222107 | CIF | C21 H34 Dy2 O23 P6 | I 21 3 | 15.9547; 15.9547; 15.9547 90; 90; 90 | 4061.3 | Tang, Si-Fu; Li, Xuebing Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties CrystEngComm, 2015, 17, 7723 |
| 7222108 | CIF | C21 H34 Eu2 O23 P6 | I 21 3 | 16.0668; 16.0668; 16.0668 90; 90; 90 | 4147.5 | Tang, Si-Fu; Li, Xuebing Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties CrystEngComm, 2015, 17, 7723 |
| 7222109 | CIF | C21 H34 Gd2 O23 P6 | I 21 3 | 16.0416; 16.0416; 16.0416 90; 90; 90 | 4128 | Tang, Si-Fu; Li, Xuebing Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties CrystEngComm, 2015, 17, 7723 |
| 7222110 | CIF | C21 H34 O23 P6 Tb2 | I 21 3 | 16.0134; 16.0134; 16.0134 90; 90; 90 | 4106.3 | Tang, Si-Fu; Li, Xuebing Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties CrystEngComm, 2015, 17, 7723 |
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