Crystallography Open Database
Search results
Result : There are 66 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 'P 4 21 2'
| COD ID: 1518909 | |
| CIF file | Formula: - C31 H32 N3 O8 Zn - Comments: Takashi Kitao; Yuta Tokunaga; Daiki Umeyama; Cho Rong Kim; Takashi Uemura; Susumu Kitagawa Synthesis of chiral porous coordination polymer that shows structural transformation induced by guest molecules Inorganica Chimica Acta 424 (2015) 221-225 Space group: P 4 21 2 Cell volume: 4438.6 Cell parameters: 21.441; 21.441; 9.655; 90; 90; 90; |
| COD ID: 1548333 | |
| CIF file | Formula: - C144 H240 Au Br4 O124 - Comments: Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin Nature Communications 4 (2013) 1855 Space group: P 4 21 2 Cell volume: 12758.3 Cell parameters: 23.6711; 23.6711; 22.7697; 90; 90; 90; |
| COD ID: 1548334 | |
| CIF file | Formula: - C144 H240 Au Cl4 O120 - Comments: Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin Nature Communications 4 (2013) 1855 Space group: P 4 21 2 Cell volume: 12855.8 Cell parameters: 23.6973; 23.6973; 22.8929; 90; 90; 90; |
| COD ID: 1548387 | |
| CIF file | Formula: - C92 H118 As4 Co3 N16 O24 - Comments: Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A. Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain. Chemical science 9(5) (2018) 1136-1143 Space group: P 4 21 2 Cell volume: 7199.8 Cell parameters: 20.6668; 20.6668; 16.8568; 90; 90; 90; |
| COD ID: 1548390 | |
| CIF file | Formula: - C92 H118 As4 Co3 N16 O24 - Comments: Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A. Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain. Chemical science 9(5) (2018) 1136-1143 Space group: P 4 21 2 Cell volume: 7200.8 Cell parameters: 20.6481; 20.6481; 16.8896; 90; 90; 90; |
| COD ID: 1568594 | |
| CIF file | Formula: - C144 H168 Cl14 Mo6 O140 - Comments: Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A. Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs Inorganics 11(2) (2023) 77 Space group: P 4 21 2 Cell volume: 12938.9 Cell parameters: 23.806; 23.806; 22.831; 90; 90; 90; |
| COD ID: 2002840 | |
| CIF file | Formula: - Ba Cu4 O17 P4 V - Comments: Mueller-Buschbaum, Hk; Meyer, S Cu4 O12-Baugruppen aus planaren Cu O4-Polygonen im BariumVanadyl- Oxocuprat(II)-phosphat Ba (V O) Cu4 (P O4)4 Zeitschrift fuer Anorganische und Allgemeine Chemie 623 (1997) 1693-1698 Space group: P 4 21 2 Cell volume: 654.4 Cell parameters: 9.5598; 9.5598; 7.16; 90; 90; 90; |
| COD ID: 2003003 | |
| CIF file | Formula: ? Comments: Steiner, T.; Saenger, W. Channel-Type Crystal Packing in the Very Rare Space Group <i>P</i>42~1~2 with <i>Z</i>' = 3/4: Crystal Structure of the Complex γ-Cyclodextrin‒Methanol‒<i>n</i>-Hydrate Acta Crystallographica Section B 54(4) (1998) 450-455 Space group: P 4 21 2 Cell volume: 13116 Cell parameters: 23.808; 23.808; 23.14; 90; 90; 90; |
| COD ID: 2100741 | |
| CIF file | Formula: - C51 H122 O58 - Comments: Ding, J.; Steiner, T.; Saenger, W. Structure of the γ-cyclodextrin‒1-propanol‒17H~2~O inclusion complex Acta Crystallographica Section B 47(5) (1991) 731-738 Space group: P 4 21 2 Cell volume: 13201 Cell parameters: 23.84; 23.84; 23.227; 90; 90; 90; |
| COD ID: 2100742 | |
| CIF file | Formula: - C51 H122 O58 - Comments: Ding, J.; Steiner, T.; Saenger, W. Structure of the γ-cyclodextrin‒1-propanol‒17H~2~O inclusion complex Acta Crystallographica Section B 47(5) (1991) 731-738 Space group: P 4 21 2 Cell volume: 13155.6 Cell parameters: 23.8093; 23.8093; 23.2069; 90; 90; 90; |
| COD ID: 2215786 | |
| CIF file | Formula: - H4 Na2 O13 Si4 Ti - Comments: Ferdov, Stanislav; Kolitsch, Uwe; Lengauer, Christian; Tillmanns, Ekkehart; Lin, Zhi; Sá Ferreira, Rute A. Refinement of the layered titanosilicate AM-1 from single-crystal X-ray diffraction data Acta Crystallographica Section E 63(11) (2007) i186-i186 Space group: P 4 21 2 Cell volume: 582.31 Cell parameters: 7.374; 7.374; 10.709; 90; 90; 90; |
| COD ID: 2242049 | |
| CIF file | Formula: - C49 H59.5 Cl2 F2 N10.5 O10 - Comments: Zeller, Matthias; de Araujo, Gabriel Lima Barros; Parker, Trev; Singh Rai, Amrinder; Byrn, Stephen R. A new solvate of afatinib, a specific inhibitor of the ErbB family of tyrosine kinases Acta Crystallographica Section E 73(3) (2017) 417-422 Space group: P 4 21 2 Cell volume: 10443.1 Cell parameters: 26.2427; 26.2427; 15.1639; 90; 90; 90; |
| COD ID: 4038398 | |
| CIF file | Formula: - C22 H19 Au Cl O P - Comments: Hu, Wei; Li, Er-Qing; Duan, Zheng; Mathey, François Concise Synthesis of Phospholene and Its P-Stereogenic Derivatives. The Journal of organic chemistry (2020) Space group: P 4 21 2 Cell volume: 8988 Cell parameters: 25.9881; 25.9881; 13.308; 90; 90; 90; |
| COD ID: 4105352 | |
| CIF file | Formula: - C56 H44 Cl16 N4 O18 Rh2 - Comments: Vincent N. G. Lindsay; Wei Lin; André B. Charette Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids Journal of the American Chemical Society 131 (2009) 16383-16385 Space group: P 4 21 2 Cell volume: 10663.1 Cell parameters: 22.3018; 22.3018; 21.439; 90; 90; 90; |
| COD ID: 4116736 | |
| CIF file | Formula: - C42 H24 Br I22 S24 - Comments: Hiroshi M. Yamamoto; Jun-Ichi Yamaura; Reizo Kato Multicomponent Molecular Conductors with Supramolecular Assembly: Iodine-Containing Neutral Molecules as Building Blocks Journal of the American Chemical Society 120 (1998) 5905-5913 Space group: P 4 21 2 Cell volume: 4465 Cell parameters: 23.435; 23.4355; 8.13; 90; 90; 90; |
| COD ID: 4121072 | |
| CIF file | Formula: - C312 H336 N72 Ni14 O24 - Comments: Xiao-Ping Zhou; Yuan Wu; Dan Li Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation Journal of the American Chemical Society 135 (2013) 16062-16065 Space group: P 4 21 2 Cell volume: 18170.1 Cell parameters: 26.9825; 26.9825; 24.957; 90; 90; 90; |
| COD ID: 4121598 | |
| CIF file | Formula: - C48 H36 Co3 N6 O12 - Comments: Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J. Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets. Journal of the American Chemical Society 136(13) (2014) 5072-5077 Space group: P 4 21 2 Cell volume: 6179.4 Cell parameters: 17.4848; 17.4848; 20.2126; 90; 90; 90; |
| COD ID: 4121601 | |
| CIF file | Formula: - C24 H16 Co N2 O4 - Comments: Elsaidi, Sameh K.; Mohamed, Mona H.; Wojtas, Lukasz; Chanthapally, Anjana; Pham, Tony; Space, Brian; Vittal, Jagadese J.; Zaworotko, Michael J. Putting the Squeeze on CH4 and CO2 through Control over Interpenetration in Diamondoid Nets. Journal of the American Chemical Society 136(13) (2014) 5072-5077 Space group: P 4 21 2 Cell volume: 6533.5 Cell parameters: 22.625; 22.625; 12.7634; 90; 90; 90; |
| COD ID: 4125215 | |
| CIF file | Formula: - C288 H504 Au Cl4 O256 Rb2 - Comments: Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination. Journal of the American Chemical Society 138(36) (2016) 11643-11653 Space group: P 4 21 2 Cell volume: 12846.7 Cell parameters: 23.7355; 23.7355; 22.8031; 90; 90; 90; |
| COD ID: 4125219 | |
| CIF file | Formula: - C144 H264 Au Br4 Na O135 - Comments: Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination. Journal of the American Chemical Society 138(36) (2016) 11643-11653 Space group: P 4 21 2 Cell volume: 12746.8 Cell parameters: 23.6486; 23.6486; 22.7925; 90; 90; 90; |
| COD ID: 4125220 | |
| CIF file | Formula: - C288 H488 Au Br4 O248 Rb2 - Comments: Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination. Journal of the American Chemical Society 138(36) (2016) 11643-11653 Space group: P 4 21 2 Cell volume: 12841.7 Cell parameters: 23.7386; 23.7386; 22.7883; 90; 90; 90; |
| COD ID: 4125222 | |
| CIF file | Formula: - C288 H480 Au Cl4 Na O241 - Comments: Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination. Journal of the American Chemical Society 138(36) (2016) 11643-11653 Space group: P 4 21 2 Cell volume: 12893 Cell parameters: 23.761; 23.761; 22.836; 90; 90; 90; |
| COD ID: 4129383 | |
| CIF file | Formula: - C79 H73 Ag4 Au4 B5 F20 N14 O P4 - Comments: Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions. Journal of the American Chemical Society 137(16) (2015) 5520-5525 Space group: P 4 21 2 Cell volume: 5582.4 Cell parameters: 22.5062; 22.5062; 11.0208; 90; 90; 90; |
| COD ID: 4132945 | |
| CIF file | Formula: - C88 H64 Br4 Cl4 O10 Rh2 - 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 4 21 2 Cell volume: 8053.6 Cell parameters: 20.4695; 20.4695; 19.2209; 90; 90; 90; |
| COD ID: 4323904 | |
| CIF file | Formula: - C80 H68 Gd N17 - Comments: Naoto Koike; Hidehiro Uekusa; Yuji Ohashi; Chokto Harnoode; Fusao Kitamura; Takeo Ohsaka; Koichi Tokuda Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBun4][LnIIIPc2]; Ln = Nd, Gd, Ho, Lu) Inorganic Chemistry 35 (1996) 5798-5804 Space group: P 4 21 2 Cell volume: 3444 Cell parameters: 17.399; 17.399; 11.377; 90; 90; 90; |
| COD ID: 4323905 | |
| CIF file | Formula: - C80 H70 Ho N17 O - Comments: Naoto Koike; Hidehiro Uekusa; Yuji Ohashi; Chokto Harnoode; Fusao Kitamura; Takeo Ohsaka; Koichi Tokuda Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBun4][LnIIIPc2]; Ln = Nd, Gd, Ho, Lu) Inorganic Chemistry 35 (1996) 5798-5804 Space group: P 4 21 2 Cell volume: 3628 Cell parameters: 18.096; 18.096; 11.079; 90; 90; 90; |
| COD ID: 4333968 | |
| CIF file | Formula: - C24 H16 Co N2 O4 - Comments: Ming-Hua Zeng; Yan-Xi Tan; Yan-Ping He; Zheng Yin; Qing Chen; Mohamedally Kurmoo A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect Inorganic Chemistry 52 (2013) 2353-2360 Space group: P 4 21 2 Cell volume: 6573.4 Cell parameters: 22.614; 22.614; 12.854; 90; 90; 90; |
| COD ID: 4333969 | |
| CIF file | Formula: - C24 H16 Co N2 O4 - Comments: Ming-Hua Zeng; Yan-Xi Tan; Yan-Ping He; Zheng Yin; Qing Chen; Mohamedally Kurmoo A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect Inorganic Chemistry 52 (2013) 2353-2360 Space group: P 4 21 2 Cell volume: 6537.1 Cell parameters: 22.5795; 22.5795; 12.8221; 90; 90; 90; |
| COD ID: 4333970 | |
| CIF file | Formula: - C28 H16 Co N2 O8 - Comments: Ming-Hua Zeng; Yan-Xi Tan; Yan-Ping He; Zheng Yin; Qing Chen; Mohamedally Kurmoo A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect Inorganic Chemistry 52 (2013) 2353-2360 Space group: P 4 21 2 Cell volume: 6510.8 Cell parameters: 22.614; 22.614; 12.7315; 90; 90; 90; |
| COD ID: 4333971 | |
| CIF file | Formula: - C29 H16 Co N2 O6.5 - Comments: Ming-Hua Zeng; Yan-Xi Tan; Yan-Ping He; Zheng Yin; Qing Chen; Mohamedally Kurmoo A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect Inorganic Chemistry 52 (2013) 2353-2360 Space group: P 4 21 2 Cell volume: 6536.1 Cell parameters: 22.6904; 22.6904; 12.695; 90; 90; 90; |
| COD ID: 4339873 | |
| CIF file | Formula: - C26 H40 N2 O13 Zn2 - Comments: Dybtsev, Danil N.; Yutkin, Maxim P.; Peresypkina, Eugenia V.; Virovets, Alexander V.; Serre, Christian; Férey, Gérard; Fedin, Vladimir P. Isoreticular homochiral porous metal-organic structures with tunable pore sizes. Inorganic chemistry 46(17) (2007) 6843-6845 Space group: P 4 21 2 Cell volume: 1734.94 Cell parameters: 13.4551; 13.4551; 9.5832; 90; 90; 90; |
| COD ID: 4344750 | |
| CIF file | Formula: - Cu4 O17 P4 Sr Ti - Comments: Kimura, Kenta; Sera, Masakazu; Kimura, Tsuyoshi A(2+) Cation Control of Chiral Domain Formation in A(TiO)Cu4(PO4)4 (A = Ba, Sr). Inorganic chemistry 55(3) (2016) 1002-1004 Space group: P 4 21 2 Cell volume: 634.96 Cell parameters: 9.5182; 9.5182; 7.0087; 90; 90; 90; |
| COD ID: 4344751 | |
| CIF file | Formula: - Ba Cu4 O17 P4 Ti - Comments: Kimura, Kenta; Sera, Masakazu; Kimura, Tsuyoshi A(2+) Cation Control of Chiral Domain Formation in A(TiO)Cu4(PO4)4 (A = Ba, Sr). Inorganic chemistry 55(3) (2016) 1002-1004 Space group: P 4 21 2 Cell volume: 656.65 Cell parameters: 9.6028; 9.6028; 7.1209; 90; 90; 90; |
| COD ID: 4346925 | |
| CIF file | Formula: - C112 H205 Gd17 O112 - Comments: Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands. Inorganic chemistry 55(5) (2016) 2037-2047 Space group: P 4 21 2 Cell volume: 10177.6 Cell parameters: 25.2485; 25.2485; 15.9652; 90; 90; 90; |
| COD ID: 4346926 | |
| CIF file | Formula: - C112 H205 O112 Tb17 - Comments: Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands. Inorganic chemistry 55(5) (2016) 2037-2047 Space group: P 4 21 2 Cell volume: 10085.4 Cell parameters: 25.1752; 25.1752; 15.9129; 90; 90; 90; |
| COD ID: 4346927 | |
| CIF file | Formula: - C112 H205 Dy17 O112 - Comments: Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands. Inorganic chemistry 55(5) (2016) 2037-2047 Space group: P 4 21 2 Cell volume: 10279 Cell parameters: 25.3946; 25.3946; 15.9393; 90; 90; 90; |
| COD ID: 4346928 | |
| CIF file | Formula: - C112 H205 Ho17 O112 - Comments: Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands. Inorganic chemistry 55(5) (2016) 2037-2047 Space group: P 4 21 2 Cell volume: 10004.5 Cell parameters: 25.1018; 25.1018; 15.8777; 90; 90; 90; |
| COD ID: 4346929 | |
| CIF file | Formula: - C112 H205 Er17 O112 - Comments: Zhou, Yuan-Yuan; Geng, Bing; Zhang, Zhen-Wei; Guan, Qun; Lu, Jun-Ling; Bo, Qi-Bing New Family of Octagonal-Prismatic Lanthanide Coordination Cages Assembled from Unique Ln17 Clusters and Simple Cliplike Dicarboxylate Ligands. Inorganic chemistry 55(5) (2016) 2037-2047 Space group: P 4 21 2 Cell volume: 10050.7 Cell parameters: 25.1663; 25.1663; 15.8693; 90; 90; 90; |
| COD ID: 4503141 | |
| CIF file | Formula: - C60 H76 Cd5 Cl4 N4 O24 - Comments: Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Wang, Zhuopeng; Sun, Jinyu; Qiu, Shilun Amine-Templated Assembly of Metal‒Organic Frameworks with Attractive Topologies Crystal Growth & Design 8(1) (2008) 319 Space group: P 4 21 2 Cell volume: 5134.5 Cell parameters: 20.1824; 20.1824; 12.6052; 90; 90; 90; |
| COD ID: 4515684 | |
| CIF file | Formula: - C115 H108 Cl2 F36 N6 O8 P2 Sb2 - Comments: Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation ACS Catalysis 8(7) (2018) 6079 Space group: P 4 21 2 Cell volume: 24298.7 Cell parameters: 23.156; 23.156; 45.3164; 90; 90; 90; |
| COD ID: 4515846 | |
| CIF file | Formula: - C22 H18 Cd N4 O4 - Comments: Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature. ACS central science 4(9) (2018) 1194-1200 Space group: P 4 21 2 Cell volume: 2856.3 Cell parameters: 18.636; 18.636; 8.2243; 90; 90; 90; |
| COD ID: 4515847 | |
| CIF file | Formula: - C22 H18 Cd N4 O4 - Comments: Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature. ACS central science 4(9) (2018) 1194-1200 Space group: P 4 21 2 Cell volume: 2860.9 Cell parameters: 18.855; 18.855; 8.0473; 90; 90; 90; |
| COD ID: 4515849 | |
| CIF file | Formula: - C22 H18 Cd N4 O4 - Comments: Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature. ACS central science 4(9) (2018) 1194-1200 Space group: P 4 21 2 Cell volume: 2861.5 Cell parameters: 18.6204; 18.6204; 8.2532; 90; 90; 90; |
| COD ID: 4518634 | |
| CIF file | Formula: - Cl2 Cs3 I3 Mn - Comments: Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites ACS Energy Letters (2021) 1901-1911 Space group: P 4 21 2 Cell volume: 3159.55 Cell parameters: 14.4125; 14.4125; 15.2106; 90; 90; 90; |
| COD ID: 7000935 | |
| CIF file | Formula: - C68 H90 Cu4 F24 Mo4 N6 P4 S8 - Comments: Ren, Zhi-Gang; Yang, Jun-Yi; Song, Ying-Lin; Li, Ni-Ya; Li, Hong-Xi; Chen, Yang; Zhang, Yong; Lang, Jian-Ping From trans-[(η5-C5Me5)2Mo2S2(μ-S)2] to [(η5-C5Me5)2Mo2(μ3-S)4(CuMeCN)2]2+ to [(η5-C5Me5)2Mo2(μ3-S)4Cu2]-based polymeric and dimeric clusters: syntheses, structures and enhanced third-order non-linear optical performances Dalton Transactions (issue 14) (2009) 2578-2587 Space group: P 4 21 2 Cell volume: 4547.8 Cell parameters: 14.236; 14.236; 22.44; 90; 90; 90; |
| COD ID: 7035129 | |
| CIF file | Formula: - Cu3 Hg2 O16 Te6 - Comments: Cao, Xue-Li; Kong, Fang; He, Zhang-Zhen; Mao, Jiang-Gao Structural and magnetic studies on three new mixed metal copper(ii) selenites and tellurites. Dalton transactions (Cambridge, England : 2003) 44(25) (2015) 11420-11428 Space group: P 4 21 2 Cell volume: 856.21 Cell parameters: 8.7073; 8.7073; 11.2931; 90; 90; 90; |
| COD ID: 7042458 | |
| CIF file | Formula: - Cl2 Cu5 O24 P4 Sr2 - Comments: Qiu, Chaoqun; He, Zhangzhen; Cui, Meiyan; Tang, Yingying; Chen, Sihuai Synthesis, structure, and magnetic properties of new layered phosphate halides Sr2Cu5(PO4)4X2·8H2O (X = Cl, Br) with a crown-like building unit. Dalton transactions (Cambridge, England : 2003) 46(13) (2017) 4461-4466 Space group: P 4 21 2 Cell volume: 1156.4 Cell parameters: 9.632; 9.632; 12.464; 90; 90; 90; |
| COD ID: 7046760 | |
| CIF file | Formula: - C83 H118 Cl Co4 N15 O15 S4 - Comments: Geng, Dantong; Zhang, Min; Hang, Xinxin; Xie, Wenjie; Qin, Yucai; Li, Qiang; Bi, Yanfeng; Zheng, Zhiping A 2D metal-thiacalix[4]arene porous coordination polymer with 1D channels: gas absorption/separation and frequency response. Dalton transactions (Cambridge, England : 2003) 47(27) (2018) 9008-9013 Space group: P 4 21 2 Cell volume: 4398.9 Cell parameters: 17.0886; 17.0886; 15.0638; 90; 90; 90; |
| COD ID: 7061075 | |
| CIF file | Formula: - C44 H68 F24 N9 Na Nd2 O33 P8 - Comments: Horniichuk, Oleksandr Ye.; Trush, Victor A.; Kariaka, Nataliia S.; Shishkina, Svitlana V.; Dyakonenko, Viktoriya V.; Severinovskaya, Olga V.; Gawryszewska, Paula; Domasevitch, Kostiantyn V.; Watras, Adam; Amirkhanov, Vladimir M. Novel quadruple-stranded heterometallic Ln2Na complexes hosting sodium ions inside the cryptand-like cavity New Journal of Chemistry 45(47) (2021) 22361-22368 Space group: P 4 21 2 Cell volume: 5206.5 Cell parameters: 17.8807; 17.8807; 16.2846; 90; 90; 90; |
| COD ID: 7108054 | |
| CIF file | Formula: - C14 H28 Cd N6 O10 - Comments: Tsolmon Borjigin; Fuxing Sun; Jinlei Zhang; Kun Cai; Hao Ren; Guangshan Zhu A microporous metal-organic framework with high stability for GC separation of alcohols from water Chem.Commun. 48 (2012) 7613 Space group: P 4 21 2 Cell volume: 4515.6 Cell parameters: 16.3498; 16.3498; 16.8924; 90; 90; 90; |
| COD ID: 7111878 | |
| CIF file | Formula: - C88 H132 Cu6 N8 O35 - Comments: Mrigendra Dubey; Ashish Kumar; Daya Shankar Pandey Homochiral coordination polymeric gel: Zn2±induced conformational changes leading to J-aggregated helical fibres formation Chem.Commun. 50 (2014) 1675 Space group: P 4 21 2 Cell volume: 5995.09 Cell parameters: 21.5599; 21.5599; 12.8974; 90; 90; 90; |
| COD ID: 7203848 | |
| CIF file | Formula: - C28 H60 Cl3 Gd N8 O20 - Comments: Umebayashi, Yasuhiro; Matsumoto, Kai; Mekata, Isamu; Ishiguro, Shin-ichi Solvation structure of lanthanide(iii) ions in solvent mixtures of N,N-dimethylformamide and N,N-dimethylacetamide studied by titration Raman spectroscopy Physical Chemistry Chemical Physics 4(22) (2002) 5599-5605 Space group: P 4 21 2 Cell volume: 2505 Cell parameters: 15.501; 15.497; 10.428; 89.99; 90.02; 90; |
| COD ID: 7207398 | |
| CIF file | Formula: - C25.9 H23.1 N5.3 Ni O5.3 - Comments: Su, Shengqun; Chen, Wan; Song, Xuezhi; Zhu, Min; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Wang, Song; Hao, Zhaoming; Li, Guanghua; Zhang, Hongjie Three unprecedented open frameworks based on a pyridyl-carboxylate: synthesis, structures and properties CrystEngComm 14(5) (2012) 1681 Space group: P 4 21 2 Cell volume: 6335.9 Cell parameters: 22.3163; 22.3163; 12.7222; 90; 90; 90; |
| COD ID: 7210330 | |
| CIF file | Formula: - C24 H70 Cl2 N8 O28 Pd6 S8 - Comments: Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters CrystEngComm 15(33) (2013) 6461 Space group: P 4 21 2 Cell volume: 6319 Cell parameters: 18.044; 18.044; 19.407; 90; 90; 90; |
| COD ID: 7212609 | |
| CIF file | Formula: - C24 H33 Cd2 Cl N8 O16 - Comments: Sang, Rui-Li; Xu, Li Helix-based supramolecular isomerism of metal‒organic framework CrystEngComm 12(11) (2010) 3579 Space group: P 4 21 2 Cell volume: 1581.1 Cell parameters: 17.124; 17.124; 5.3921; 90; 90; 90; |
| COD ID: 7214531 | |
| CIF file | Formula: - C26.5 H27.75 Co N2 O7.38 - Comments: Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A. Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate CrystEngComm 15(45) (2013) 9521 Space group: P 4 21 2 Cell volume: 6522.4 Cell parameters: 22.6591; 22.6591; 12.7035; 90; 90; 90; |
| COD ID: 7215300 | |
| CIF file | Formula: - C25.9 H27.85 Cd N5.3 O6.05 - Comments: Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid CrystEngComm 13(10) (2011) 3432 Space group: P 4 21 2 Cell volume: 2857.2 Cell parameters: 18.8725; 18.8725; 8.0221; 90; 90; 90; |
| COD ID: 7215301 | |
| CIF file | Formula: - C26 H29.5 Co N5 O6.3 - Comments: Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid CrystEngComm 13(10) (2011) 3432 Space group: P 4 21 2 Cell volume: 2682.6 Cell parameters: 18.5718; 18.5718; 7.7776; 90; 90; 90; |
| COD ID: 7218037 | |
| CIF file | Formula: - C102 H131 Cd3 N2 O47.5 - Comments: Jiang, Wei; Zhang, Hang; Yang, Jin; Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang Three resorcin[4]arene-based complexes with Cu(ii)-exchange characteristics and fluorescence sensing of polyoxometalates in aqueous solutions CrystEngComm 16(41) (2014) 9638 Space group: P 4 21 2 Cell volume: 11950.2 Cell parameters: 22.9973; 22.9973; 22.5955; 90; 90; 90; |
| COD ID: 7222285 | |
| CIF file | Formula: - C44 H82 Cu3 N4 O18.25 - Comments: Dubey, Mrigendra; Kumar, Ashish; Dhavale, Vishal M.; Kurungot, Sreekumar; Pandey, Daya Shankar Can enantiomer ligands produce structurally distinct homochiral MOFs? CrystEngComm 17(43) (2015) 8202 Space group: P 4 21 2 Cell volume: 5995.09 Cell parameters: 21.5599; 21.5599; 12.8974; 90; 90; 90; |
| COD ID: 7230121 | |
| CIF file | Formula: - C20 H28 Cr2 Cu N8 O7 - Comments: Scott, Hayley S.; Mukherjee, Soumya; Turner, David R.; Polson, Matthew I. J.; Zaworotko, Michael J.; Kruger, Paul E. Crystal engineering of dichromate pillared hybrid ultramicroporous materials incorporating pyrazole-based ligands CrystEngComm 20(9) (2018) 1193 Space group: P 4 21 2 Cell volume: 3012.3 Cell parameters: 18.658; 18.658; 8.653; 90; 90; 90; |
| COD ID: 7231861 | |
| CIF file | Formula: - C72 H62 Cl Co4 N6 O12 S4 - Comments: Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D RSC Advances 8(68) (2018) 39208 Space group: P 4 21 2 Cell volume: 6667.5 Cell parameters: 20.549; 20.549; 15.79; 90; 90; 90; |
| COD ID: 7237195 | |
| CIF file | Formula: - C15 H7 Cu N O7 - Comments: Ye, Yingxiang; Ma, Zhenlin; Chen, Liangji; Lin, Haizhen; Lin, Quanjie; Liu, Lizhen; Li, Ziyin; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang Microporous metal‒organic frameworks with open metal sites and π-Lewis acidic pore surfaces for recovering ethylene from polyethylene off-gas Journal of Materials Chemistry A 6(42) (2018) 20822 Space group: P 4 21 2 Cell volume: 5630.32 Cell parameters: 18.2466; 18.2466; 16.911; 90; 90; 90; |
| COD ID: 7243487 | |
| CIF file | Formula: - C176 H402 O177 - Comments: Vicatos, A. I.; Caira, M. R. Cyclodextrin complexes of the anticonvulsant agent valproic acid CrystEngComm 23(37) (2021) 6582-6590 Space group: P 4 21 2 Cell volume: 13024 Cell parameters: 23.745; 23.745; 23.1; 90; 90; 90; |
| COD ID: 9008586 | |
| CIF file | Formula: - Np - Comments: Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Sample is stable between 551 K and 843 K Note: T = 586 K Crystal Structures 1 (1963) 7-83 Space group: P 4 21 2 Cell volume: 81.246 Cell parameters: 4.897; 4.897; 3.388; 90; 90; 90; |
| COD ID: 9009817 | |
| CIF file | Formula: - Br3 Hg6 I S4 - Comments: Minets, Y. V.; Voroshilov, Y. V.; Pan'ko, V. V. The structures of mercury chalcogenhalogenides Hg3X2Hal2 Note: synthetic, superstructure Journal of Alloys and Compounds 367 (2004) 109-114 Space group: P 4 21 2 Cell volume: 792.191 Cell parameters: 13.32; 13.32; 4.465; 90; 90; 90; |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!