Crystallography Open Database

Result: there are 213 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching space group like 'P 3 2 1'

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 5 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
4307049 CIFC24 H84.7 Br La3 O90.35 S28 W12P 3 2 125.4465; 25.4465; 13.2492
90; 90; 120
7429.8Maxim N. Sokolov; Artem L. Gushchin; Konstantin A. Kovalenko; Eugenia V. Peresypkina; Alexander V. Virovets; Joaquin Sanchiz; Vladimir P. Fedin
Triangular Oxalate Clusters [W3(μ3-S)(μ2-S2)3(C2O4)3]2- as Building Blocks for Coordination Polymers and Nanosized Complexes
Inorganic Chemistry, 2007, 46, 2115-2123
4307050 CIFC24 H85.9 Br Ce3 O90.95 S28 W12P 3 2 125.3218; 25.3218; 13.2303
90; 90; 120
7346.7Maxim N. Sokolov; Artem L. Gushchin; Konstantin A. Kovalenko; Eugenia V. Peresypkina; Alexander V. Virovets; Joaquin Sanchiz; Vladimir P. Fedin
Triangular Oxalate Clusters [W3(μ3-S)(μ2-S2)3(C2O4)3]2- as Building Blocks for Coordination Polymers and Nanosized Complexes
Inorganic Chemistry, 2007, 46, 2115-2123
4311299 CIFC18 H22.5 B0.5 F2 Fe N10P 3 2 111.855; 11.855; 9.479
90; 90; 120
1153.7Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues
Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds
Inorganic Chemistry, 2004, 43, 4154-4171
4311300 CIFC18 H22.5 B0.5 F2 Fe N10P 3 2 111.8898; 11.8898; 9.4759
90; 90; 120
1160.11Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues
Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds
Inorganic Chemistry, 2004, 43, 4154-4171
4316636 CIFC30 H42 Bi4 Cl12 Se6P 3 2 118.184; 18.184; 15.147
90; 90; 120
4337.5William Levason; Seema Maheshwari; Raju Ratnani; Gillian Reid; Michael Webster; Wenjian Zhang
Structural Diversity in Supramolecular Complexes of MCl3 (M = As, Sb, Bi) with Constrained Thio- and Seleno-Ether Ligands
Inorganic Chemistry, 2010, 49, 9036-9048
4331706 CIFC144 H131 Cl4 N12 O60 Y7P 3 2 116.955; 16.955; 14.653
90; 90; 120
3648Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang
A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units
Inorganic Chemistry, 2013, 52, 6-8
4331708 CIFC144 H131 Cl4 La7 N12 O60P 3 2 116.943; 16.943; 14.707
90; 90; 120
3656Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang
A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units
Inorganic Chemistry, 2013, 52, 6-8
4331710 CIFC144 H131 Cl4 Gd7 N12 O60P 3 2 117.061; 17.061; 14.757
90; 90; 120
3720Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang
A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units
Inorganic Chemistry, 2013, 52, 6-8
4331715 CIFC144 H127 Cl4 Dy7 N12 O58P 3 2 116.9779; 16.9779; 14.6965
90; 90; 120
3668.7Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang
A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units
Inorganic Chemistry, 2013, 52, 6-8
4331717 CIFC144 H127 Cl4 Er7 N12 O58P 3 2 116.9317; 16.9317; 14.6966
90; 90; 120
3648.8Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang
A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units
Inorganic Chemistry, 2013, 52, 6-8
4331719 CIFC144 H131 Cl4 N12 O60 Yb7P 3 2 116.923; 16.923; 14.646
90; 90; 120
3632Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang
A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units
Inorganic Chemistry, 2013, 52, 6-8
4340969 CIFB1.68 Ge4.32 O14 Sr2.84P 3 2 18.007; 8.007; 4.888
90; 90; 120
271.39Petermüller, Benedikt; Petschnig, Lucas L.; Wurst, Klaus; Heymann, Gunter; Huppertz, Hubert
Synthesis and characterization of the new strontium borogermanate Sr(3-x/2)B(2-x)Ge(4+x)O₁₄ (x = 0.32).
Inorganic chemistry, 2014, 53, 9722-9728
4343896 CIFC39 H60 Cr2 N4 P3P 3 2 116.067; 16.067; 11.673
90; 90; 120
2609.7Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping.
Inorganic chemistry, 2015, 54, 7579-7592
4347762 CIFC162 H234 N36 O54 Zn9P 3 2 125.6462; 25.6462; 25.6573
90; 90; 120
14614.6Wu, Xin; Xu, Zhong-Xuan; Wang, Fei; Zhang, Jian
Catenation of Homochiral Metal-Organic Nanocages or Nanotubes.
Inorganic chemistry, 2016, 55, 5095-5097
4348652 CIFC39 H60 Fe2 N4 P3P 3 2 115.8611; 15.8611; 11.7814
90; 90; 120
2566.8Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.
Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States.
Inorganic chemistry, 2016, 55, 9725-9735
5910302 CIFAs2 Cl9 Cs3P 3 2 17.39; 7.39; 8.93
90; 90; 120
422.349Wyckoff, R. W. G.
Page 475-477 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951
The Structure of Crystals, 1951, 3, 475-475
6000287 CIFBa16 Cu3 Ir10 O39P 3 2 110.1344; 10.1344; 35.0564
90; 90; 120
3118.14Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F.
Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39
Chemistry of Materials, 1999, 11, 1551-1558
6000636 CIFCu Ir2 O9 Sr4P 3 2 19.6854; 9.6854; 8.0473
90; 90; 120
653.75Battle, P. D.; Blake, G. R.; Sloan, J.; Vente, J. F.
Commensurate and incommensurate phases in the system A(4)A ' Ir2O9 (A = Sr, Ba; a ' = Cu, Zn)
Journal of Solid State Chemistry, 1998, 136, 103-114
7021651 CIFC44 H30 N18 O8 Zn5P 3 2 117.75; 17.75; 19.192
90; 90; 120
5236.6Schmieder, Phillip; Denysenko, Dmytro; Grzywa, Maciej; Baumgärtner, Benjamin; Senkovska, Irena; Kaskel, Stefan; Sastre, German; van Wüllen, Leo; Volkmer, Dirk
CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 10786-10797
7021652 CIFC44 H30 Co1.34 N18 O8 Zn3.66P 3 2 117.7771; 17.7771; 19.1129
90; 90; 120
5230.9Schmieder, Phillip; Denysenko, Dmytro; Grzywa, Maciej; Baumgärtner, Benjamin; Senkovska, Irena; Kaskel, Stefan; Sastre, German; van Wüllen, Leo; Volkmer, Dirk
CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 10786-10797
7033985 CIFC120 H165 Mg4 N3 O15P 3 2 121.817; 21.817; 16.96
90; 90; 120
6991.1Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai
Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 5692-5702
7034276 CIFC72 H66 Cl2 Cu4 N8 O43P 3 2 126.9516; 26.9516; 13.0398
90; 90; 120
8202.96Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong
Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 12180-12188
7034277 CIFC72 H66 Cl2 Cu4 N8 O43P 3 2 126.9979; 26.9979; 13.0953
90; 90; 120
8266.2Chen, Lianfen; Kang, Jian; Cui, Hao; Wang, Yingxia; Liu, Lan; Zhang, Li; Su, Cheng-Yong
Homochiral coordination cages assembled from dinuclear paddlewheel nodes and enantiopure ditopic ligands: syntheses, structures and catalysis.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 12180-12188
7044000 CIFC78 H113 Gd2 N14 O10P 3 2 112.362; 12.362; 31.321
90; 90; 120
4145.2Craze, Alexander R.; Huang, Xin-Da; Etchells, Isaac; Zheng, Li-Min; Bhadbhade, Mohan; Marjo, Christopher; Clegg, Jack Kay; Moore, Evan G.; Avdeev, Maxim; Lindoy, Leonard F.; Li, Feng
Synthesis and Characterisation of New Tripodal Lanthanide Complexes and Investigation of Their Optical and Magnetic Properties
Dalton Trans., 2017
7047340 CIFC18 H24 As2 K14 N6 Ni3 O96 P6 W12P 3 2 122.6407; 22.6407; 19.7106
90; 90; 120
8750Xu, Qiaofei; Li, Yingguang; Ban, Ran; Li, Zhao; Han, Xiao; Ma, Pengtao; Singh, Vikram; Wang, Jingping; Niu, Jingyang
Polyoxotungstates incorporated organophosphonate and nickel: synthesis, characterization and efficient catalysis for epoxidation of allylic alcohols.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 13479-13486
7058152 CIFC52 H37 N7 O30 Zn6P 3 2 122.848; 22.848; 20.33
90; 90; 120
9191Di, Min; Shen, Jingwen; Cui, Zheng; Zhang, Xiaoying; Zhang, Jingping
Assembly of metal‒organic frameworks based on 4-connected 3,3′,5,5′-azobenzenetetracarboxylic acid: structures, magnetic properties, and sensing of Fe3+ ions
New Journal of Chemistry, 2019, 43, 4226
7058499 CIFC36 H48 N3 Ni1.5 O9 S3P 3 2 114.1696; 14.1696; 12.1596
90; 90; 120
2114.29Kumar, Rakesh; Mutreja, Vishal; Sharma, Gyaneshwar; Kumar, Sanjeev; Ali, Anzar; Mehta, S. K.; Venugopalan, P.; Kataria, Ramesh; Sahoo, Subash Chandra
The role of a weakly coordinating thioether group in ligation controlled molecular self-assemblies and their inter-conversions in Ni(ii) complexes of l-methionine derived ligand
New Journal of Chemistry, 2019, 43, 11222
7100151 CIFC80 H91.33 Cd Cl6 N6 O20.67P 3 2 126.209; 26.209; 12.7517
90; 90; 120
7586.1Wenbin Lin; Chuan-De Wu
A chiral porous 3D metal-organic framework with an unprecdented 4-connected network topology
Chemical Communications, 2005
7112281 CIFC13 H8 Cu N3 O5P 3 2 118.1402; 18.1402; 18.114
90; 90; 120
5162.1Li, Pei-Zhou; Wang, Xiao-Jun; Zhang, Kang; Nalaparaju, Anjaiah; Zou, Ruyi; Zou, Ruqiang; Jiang, Jianwen; Zhao, Yanli
"Click"-extended nitrogen-rich metal-organic frameworks and their high performance in CO2-selective capture.
Chemical communications (Cambridge, England), 2014, 50, 4683-4685
7115692 CIFC186 H102 In9 N30 O72 Ru2P 3 2 115.778; 15.778; 28.032
90; 90; 120
6043.5Lei Wang; Weiting Yang; Yangxue Li; Zhigang Xie; Wei Zhu; Zhong-Ming Sun
Dynamically controlled one-pot synthesis of heterogeneous core-shell MOF single crystals using guest molecules
Chem.Commun., 2014, 50, 11653
7126797 CIFC93 H78 N9 O19 Zn4P 3 2 125.6587; 25.6587; 10.1334
90; 90; 120
5777.7Tang, Haitong; Yang, Keke; Wang, Kun-Yu; Meng, Qi; Wu, Fan; Fang, Yu; Wu, Xiang; Li, Yougui; Zhang, WenCheng; Luo, Yunfei; Zhu, Chengfeng; Zhou, Hong-Cai
Engineering a homochiral metal-organic framework based on an amino acid for enantioselective separation.
Chemical communications (Cambridge, England), 2020, 56, 9016-9019
7208708 CIFC21 H23.5 Cr0.5 Fe N10 O6.5P 3 2 112.5886; 12.5886; 9.218
90; 90; 120
1265.09Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide
Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)
CrystEngComm, 2012, 14, 6377
7208709 CIFC21 H23.5 Cr0.5 Fe N10 O6.5P 3 2 112.6333; 12.6333; 9.258
90; 90; 120
1279.62Sunatsuki, Yukinari; Miyahara, Sho; Sasaki, Yuu; Suzuki, Takayoshi; Kojima, Masaaki; Matsumoto, Naohide
Conglomerate crystallization, chiral recognition and spin-crossover in a host‒guest complex consisting of FeIII complexes (host) and [Cr(ox)3]3− (guest)
CrystEngComm, 2012, 14, 6377
7222629 CIFBr2 H Hg2 NP 3 2 16.985; 6.985; 6.165
90; 90; 120
260.493Brodersen, K.; Ruedorff, W.
Ueber die Struktur des Hg2 N H Br2
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1954, 9, 164-164
7229761 CIFAl1.5 Ca3 Ga1.5 O14 Si2 TaP 3 2 18.0801; 8.0801; 4.9553
90; 90; 120
280.18Fu, Xiuwei; Víllora, Encarnación G.; Matsushita, Yoshitaka; Kitanaka, Yuuki; Noguchi, Yuji; Miyayama, Masaru; Shimamura, Kiyoshi; Ohashi, Naoki
Resistivity and piezoelectric properties of Ca3TaGa1.5Al1.5Si2O14 single crystals for high temperature sensors
RSC Advances, 2017, 7, 56697
7244055 CIFC30 H50 Cl2 Eu2 N2 O20P 3 2 119.4078; 19.4078; 23.1536
90; 90; 120
7552.69Dong, Yingling; Chen, Rui; Zhu, Xu; Niu, Caoyuan; Wu, Benlai; Yu, Ajuan
Homochiral porous coordination polymer of EuIII for metal ion sensing and enantioselective adsorption
CrystEngComm, 2022, 24, 1156-1160
7247178 CIFC14 H28 Co Li N8 O14P 3 2 19.9786; 9.9786; 7.0265
90; 90; 120
605.91Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao
A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]
CrystEngComm, 2023, 25, 5085-5091
7248175 CIFCa3 Ga3 O14 Si2 TaP 3 2 18.112; 8.112; 4.9862
90; 90; 120
284.16Ai, Lei; Sun, Zhigang; Jiang, Linwen; Pan, Jianguo; Zheng, Yanqing; Pan, Shangke
Piezoelectric properties of (Sr0.2Ca0.8)3TaGa3Si2O14 and Ca3TaGa3Si2O14 single crystals grown via vertical Bridgman method
CrystEngComm, 2024, 26, 1550-1555
8100499 CIFCa3 Ga3 O14 Si2 TaP 3 2 18.1081; 8.1081; 4.985
90; 90; 120
283.81Wang, Zeng-Mei; Yu, Wen-Tao; Yuan, Duo-Rong; Wang, Xin-Qiang; Xue, Gang; Shi, Xu-Zhong; Xu, Dong; Lv, Meng-Kai
Crystal structure of tricalcium tantalum trigallium disilicon oxide, Ca~3~TaGa~3~Si~2~O~14~
Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 389-390
8101619 CIFAl2 B2 K2 O7P 3 2 18.5657; 8.5657; 8.463
90; 90; 120
537.7Hu, Zhang-Gui; Higashiyama, T.; Yoshimura, M.; Mori, Y.; Sasaki, T.
Redetermination of the crystal structure of dipotassium dialuminum borate, K~2~Al~2~B~2~O~7~, a new non-linear optical material
Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 433-434
8103923 CIFBe7 H28.5 K2.74 Na4 O42.25 P7P 3 2 112.5815; 12.5815; 12.4508
90; 90; 120
1706.84Harvey, G.; Baerlocher, C.; Wroblewski, T.
Structure solution and Rietveld refinement of beryllophosphate-H zeolite
Zeitschrift fuer Kristallographie (149,1979-), 1992, 201, 113-123
8104220 CIFCl9 Cs3 Sb2P 3 2 17.633; 7.633; 9.345
90; 90; 120
471.52Kihara, K.; Sudo, T.
The structure of alpha-type cesium antimony nonachloride, Cs3 Sb2 Cl9
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1971, 134, 142-144
9000006 CIFK2 O6 S2P 3 2 19.82; 9.82; 6.36
90; 90; 120
531.142Huggins, M. L.; Frank, G. O.
The crystal structure of potassium dithionate, K2S2O6 Note: coordinates revised according to Am Min 18 (1933) 455-457
American Mineralogist, 1931, 16, 580-591
9000007 CIFO6 Rb2 S2P 3 2 110; 10; 6.3
90; 90; 120
545.596Huggins, M. L.; Frank, G. O.
The crystal structure of potassium dithionate, K2S2O6
American Mineralogist, 1931, 16, 580-591
9001705 CIFCa1.11 Na1.8 O14 Si6P 3 2 17.903; 7.903; 4.595
90; 90; 120
248.542Gasparik, T.; Parise, J. B.; Eiben, B. A.; Hriljac, J. A.
Stability and structure of a new high-pressure silicate, Na1.8Ca1.1Si6O14 Sample: data collected on a diffractometer Note: U(2,3) for Si2, Na/Ca altered to match symmetry constraints.
American Mineralogist, 1995, 80, 1269-1276
9001706 CIFCa1.11 Na1.8 O14 Si6P 3 2 17.903; 7.903; 4.595
90; 90; 120
248.542Gasparik, T.; Parise, J. B.; Eiben, B. A.; Hriljac, J. A.
Stability and structure of a new high-pressure silicate, Na1.8Ca1.1Si6O14 Sample: data collected on an image plate Note: U(2,3) for Si2, Na/Ca altered to match symmetry constraints.
American Mineralogist, 1995, 80, 1269-1276
9002373 CIFAl2.001 Ca3 O14 Si2.498 Ti1.501P 3 2 17.943; 7.943; 4.93
90; 90; 120
269.368Scheuermann, P.; Kutoglu, A.; Schosnig, M.; Hoffer, E.
Structure and stability of the high-pressure phase, Ca3TiSi2(Al,Ti,Si)3O14
American Mineralogist, 2000, 85, 784-791
9004474 CIFAs2 O14 Pb3 Te Zn3P 3 2 18.46; 8.46; 5.206
90; 90; 120
322.683Lam, A. E.; Groat, L. A.; Ercit, T. S.
The crystal structure of dugganite, Pb3Zn3TeAs2O14
The Canadian Mineralogist, 1998, 36, 823-830
9004560 CIFAl30 H12 K15.32 Na15.4 O196 S10 Si30P 3 2 112.916; 12.916; 26.543
90; 90; 120
3834.75Ballirano, P.; Bonaccorsi, E.; Maras, A.; Merlino, S.
The crystal structure of franzinite, the ten-layer mineral of the cancrinite group
The Canadian Mineralogist, 2000, 38, 657-668
9007715 CIFCa Cl2 H12 O6P 3 2 17.8759; 7.8758; 3.9545
90; 90; 120
212.431Agron, P. A.; Busing, W. R.
Calcium and strontium dichloride hexahydrates by neutron diffraction
Acta Crystallographica, Section C, 1986, 42, 141-143

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 5 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!