Crystallography Open Database

Result : There are 65 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 1 m 1'

COD ID: 1010666
CIF file Formula: - Co2 H30 N8 O13 S -
Comments: Strock, L W The crystallography and space group of carbanato tetrammine cobalti sulfate, (Co C O~3~ (N H~3~)~4~)~2~ S O~4~ (H~2~ O)~3~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 86 (1933) 42-52
Space group: P 1 m 1
Cell volume: 917.5
Cell parameters: 11.8; 10.6; 7.42; 90; 98.65; 90;  

COD ID: 1501475
CIF file Formula: - Mg0.213 Nb0.427 O3 Pb Ti0.36 -
Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18
Space group: P 1 m 1
Cell volume: 64.6
Cell parameters: 4.0055; 3.9897; 4.0426; 90; 90.19; 90;  

COD ID: 1501483
CIF file Formula: - Mg0.213 Nb0.427 O3 Pb Ti0.36 -
Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18
Space group: P 1 m 1
Cell volume: 64.642
Cell parameters: 4.0054; 3.9896; 4.0452; 90; 90.23; 90;  

COD ID: 1501484
CIF file Formula: - Mg0.213 Nb0.427 O3 Pb Ti0.36 -
Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18
Space group: P 1 m 1
Cell volume: 64.599
Cell parameters: 4.005; 3.9851; 4.0475; 90; 90.241; 90;  

COD ID: 1501485
CIF file Formula: - Mg0.213 Nb0.427 O3 Pb Ti0.36 -
Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18
Space group: P 1 m 1
Cell volume: 64.577
Cell parameters: 4.0022; 3.9838; 4.0503; 90; 90.252; 90;  

COD ID: 1501493
CIF file Formula: - Mg0.227 Nb0.453 O3 Pb Ti0.32 -
Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18
Space group: P 1 m 1
Cell volume: 64.874
Cell parameters: 4.019; 4.0078; 4.0276; 90; 90.128; 90;  

COD ID: 1501494
CIF file Formula: - Mg0.227 Nb0.453 O3 Pb Ti0.32 -
Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18
Space group: P 1 m 1
Cell volume: 64.846
Cell parameters: 4.02; 4.0046; 4.0281; 90; 90.178; 90;  

COD ID: 1501495
CIF file Formula: - Mg0.227 Nb0.453 O3 Pb Ti0.32 -
Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18
Space group: P 1 m 1
Cell volume: 64.786
Cell parameters: 4.0204; 3.9997; 4.0289; 90; 90.241; 90;  

COD ID: 1501496
CIF file Formula: - Mg0.227 Nb0.453 O3 Pb Ti0.32 -
Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B 74 (2006) 1-18
Space group: P 1 m 1
Cell volume: 64.769
Cell parameters: 4.022; 3.9946; 4.0314; 90; 90.314; 90;  

COD ID: 1501511
CIF file Formula: - Mg0.227 Nb0.453 O3 Pb Ti0.32 -
Comments: Singh, Akhilesh Kumar; Pandey, Dhananjai Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study Physical Review B 67(6) (2003) 1-12
Space group: P 1 m 1
Cell volume: 64.811
Cell parameters: 4.0183; 4.0046; 4.0276; 90; 90.146; 90;  

COD ID: 1526572
CIF file Formula: - Li3 N2 Na3 -
Comments: Schoen, J.C.; Wevers, M.A.C.; Jansen, M. Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N) Solid State Sciences 2 (2000) 449-456
Space group: P 1 m 1
Cell volume: 89.536
Cell parameters: 3.854; 3.676; 6.32; 90; 90.31; 90;  

COD ID: 1526576
CIF file Formula: - Li5 N2 Na -
Comments: Schoen, J.C.; Wevers, M.A.C.; Jansen, M. Investigation of the possible ternary nitrides in the system (Li3 N)/(Na3 N) Solid State Sciences 2 (2000) 449-456
Space group: P 1 m 1
Cell volume: 110.005
Cell parameters: 4.28; 3.86; 7.827; 90; 121.71; 90;  

COD ID: 1527600
CIF file Formula: - Mo8 P5 -
Comments: Johnsson, Torsten The crystal structure of Mo8 P5 from twin-crystal data Acta Chemica Scandinavica (1-27,1973-42,1988) 26 (1972) 365-382
Space group: P 1 m 1
Cell volume: 185.74
Cell parameters: 9.3992; 3.2088; 6.5369; 90; 109.592; 90;  

COD ID: 1535407
CIF file Formula: - Al2 Ba H4 O10 Si2 -
Comments: Bolotina, N.B.; Rastsvetaeva, R.K.; Andrianov, V.I.; Kashaev, A.A. Refinement of modulated crystals. Structure of kimrite. Kristallografiya 36 (1991) 361-368
Space group: P 1 m 1
Cell volume: 1524.74
Cell parameters: 5.346; 37.05; 7.698; 90; 90; 90;  

COD ID: 1536534
CIF file Formula: - C Nb1.91 -
Comments: Khaenko, B.V.; Gnitetskii, O.A. Crystal structure of Nb2C carbide low temperature ordered modification Kristallografiya 38 (1993) 55-60
Space group: P 1 m 1
Cell volume: 168.882
Cell parameters: 10.9391; 3.0989; 4.9819; 90; 90; 90;  

COD ID: 1563405
CIF file Formula: - Bi3 In4 S10 -
Comments: Yin, Wenlong; Mei, Dajiang; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng Bi3In4S10 and Bi14.7In11.3S38: Two new bismuth sulfides with interesting Bi‒Bi bonding Journal of Solid State Chemistry 183(11) (2010) 2544-2551
Space group: P 1 m 1
Cell volume: 1552.9
Cell parameters: 11.566; 7.6427; 17.742; 90; 98.03; 90;  

COD ID: 1563686
CIF file Formula: - Cu3 La4 Mo O12 -
Comments: Enterkin, James A.; Maggard, Paul A.; Ishiwata, Shintaro; Marks, Laurence D.; Poeppelmeier, Kenneth R.; Azuma, Masaki; Takano, Mikio Single crystal growth and structure of La4Cu3MoO12 Journal of Solid State Chemistry 183(3) (2010) 551-556
Space group: P 1 m 1
Cell volume: 595.82
Cell parameters: 6.856; 10.9802; 7.9147; 90; 90.016; 90;  

COD ID: 1563687
CIF file Formula: - Cu3 La4 Mo O12 -
Comments: Enterkin, James A.; Maggard, Paul A.; Ishiwata, Shintaro; Marks, Laurence D.; Poeppelmeier, Kenneth R.; Azuma, Masaki; Takano, Mikio Single crystal growth and structure of La4Cu3MoO12 Journal of Solid State Chemistry 183(3) (2010) 551-556
Space group: P 1 m 1
Cell volume: 595.82
Cell parameters: 6.856; 10.9802; 7.9147; 90; 90.016; 90;  

COD ID: 1563688
CIF file Formula: - Cu3 La4 Mo O12 -
Comments: Enterkin, James A.; Maggard, Paul A.; Ishiwata, Shintaro; Marks, Laurence D.; Poeppelmeier, Kenneth R.; Azuma, Masaki; Takano, Mikio Single crystal growth and structure of La4Cu3MoO12 Journal of Solid State Chemistry 183(3) (2010) 551-556
Space group: P 1 m 1
Cell volume: 595.82
Cell parameters: 6.856; 10.9802; 7.9147; 90; 90.016; 90;  

COD ID: 1569029
CIF file Formula: - C112 H67 N24 O32 Zn10 -
Comments: Yuan, Amelia T.; Stillman, Martin J. Arsenic binding to human metallothionein-3. Chemical science 14(21) (2023) 5756-5767
Space group: P 1 m 1
Cell volume: 4148.8
Cell parameters: 18.046; 9.8055; 24.994; 90; 110.269; 90;  

COD ID: 1569180
CIF file Formula: - C112 H67 N24 O32 Zn10 -
Comments: Liu, Jiaqi; Wang, Hao; Li, Jing Pillar-layer Zn-triazolate-dicarboxylate frameworks with a customized pore structure for efficient ethylene purification from ethylene/ethane/acetylene ternary mixtures. Chemical science 14(22) (2023) 5912-5917
Space group: P 1 m 1
Cell volume: 4148.8
Cell parameters: 18.046; 9.8055; 24.994; 90; 110.269; 90;  

COD ID: 2002388
CIF file Formula: - Ca0.33 Mg O6 Y2.67 -
Comments: Schroeder, F; Mueller-Buschbaum, Hk Neue metastabile Oxolanthanoide: Ba Ca2 Y6 O12 und Ca0.33 Mg Y2.67 O5.33 (=Ca Mg3 Y8 O16) Journal of the Less-Common Metals 116 (1986) 211-218
Space group: P 1 m 1
Cell volume: 405.6
Cell parameters: 6.516; 10.62; 5.866; 90; 92.4; 90;  

COD ID: 2002390
CIF file Formula: - Ca Mg3 O16 Y8 -
Comments: Schroeder, F; Mueller-Buschbaum, Hk Neue metastabile oxolanthanoide: Ba Ca2 Y6 O12 und Ca.33 Mg Y2.67 O5.33 (=Ca Mg3 Y8 O16) Journal of the Less-Common Metals 116 (1986) 211-218
Space group: P 1 m 1
Cell volume: 405.6
Cell parameters: 6.516; 10.62; 5.866; 90; 92.4; 90;  

COD ID: 2101649
CIF file

Original IUCr paper

 Formula: - Nb7 O56 W12.5 Zr0.5 -
Comments: Krumeich, F.; Liedtke, G.; Mader, W. A novel intergrowth structure between ReO~3~-type and tetragonal tungsten bronze-type in the Zr/Nb/W/O system Acta Crystallographica Section B 52(6) (1996) 917-922
Space group: P 1 m 1
Cell volume: 1020.67
Cell parameters: 19; 3.9; 13.8; 90; 93.5; 90;  

COD ID: 2104293
CIF file

Original IUCr paper

 Formula: - K0.3 Na0.7 Nb O3 -
Comments: Baker, D. W.; Thomas, P. A.; Zhang, N.; Glazer, A. M. Structural study of K~<i>x~</i>Na~1{-~<i>x</i>}NbO~3~ (KNN) for compositions in the range <i>x</i> = 0.24‒0.36 Acta Crystallographica Section B 65(1) (2009) 22-28
Space group: P 1 m 1
Cell volume: 124.531
Cell parameters: 5.64304; 3.93188; 5.6126; 90; 89.9136; 90;  

COD ID: 2104386
CIF file

Original IUCr paper

 Formula: - K0.05 Na0.95 Nb O3 -
Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299
Space group: P 1 m 1
Cell volume: 242.338
Cell parameters: 5.60123; 7.79834; 5.548; 90; 90.051; 90;  

COD ID: 2104388
CIF file

Original IUCr paper

 Formula: - K0.3 Na0.7 Nb O3 -
Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299
Space group: P 1 m 1
Cell volume: 125.36
Cell parameters: 5.65868; 3.93856; 5.6248; 90; 90.073; 90;  

COD ID: 2310806
CIF file Formula: - K0.8 Na0.2 Nb O3 -
Comments: Ahtee, M.; Hewat, A.W. Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction Acta Crystallographica A (24,1968-38,1982) 34 (1978) 309-317
Space group: P 1 m 1
Cell volume: 489.934
Cell parameters: 7.9162; 7.835; 7.8993; 90; 90.325; 90;  

COD ID: 2310808
CIF file Formula: - K0.65 Na0.35 Nb O3 -
Comments: Athee, M.; Hewat, A.W. Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction Acta Crystallographica A (24,1968-38,1982) 34 (1978) 309-317
Space group: P 1 m 1
Cell volume: 498.866
Cell parameters: 7.9751; 7.862; 7.9565; 90; 90.34; 90;  

COD ID: 2311059
CIF file Formula: - K0.02 Na0.98 Nb O3 -
Comments: Ahtee, M.; Hewat, A.W. The structures of Na0.98 K0.02 Nb O3 and Na0.9 K0.1 Nb O3 (phase Q) at room temperature by neutron powder diffraction Acta Crystallographica A (24,1968-38,1982) 31 (1975) 846-850
Space group: P 1 m 1
Cell volume: 478.843
Cell parameters: 7.8567; 7.767; 7.8478; 90; 90.856; 90;  

COD ID: 2311060
CIF file Formula: - K0.1 Na0.9 Nb O3 -
Comments: Ahtee, M.; Hewat, A.W. The Structures of Na.98 K.02 Nb O3 and Na.90 K.10 Nb O3 (Phase Q) at Room Temperature by Neutron Powder Diffraction Acta Crystallographica A (24,1968-38,1982) 31 (1975) 846-850
Space group: P 1 m 1
Cell volume: 482.681
Cell parameters: 7.8782; 7.792; 7.8632; 90; 90.479; 90;  

COD ID: 2311721
CIF file Formula: - C4 H12 Cl4 Fe N -
Comments: Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 844-855
Space group: P 1 m 1
Cell volume: 295.12
Cell parameters: 6.425; 7.148; 6.4274; 90; 91.21; 90;  

COD ID: 2311728
CIF file Formula: - C4 H12 Cl4 Ga N -
Comments: Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 5) (2017) 844-855
Space group: P 1 m 1
Cell volume: 297.91
Cell parameters: 6.4571; 7.1456; 6.4596; 90; 91.721; 90;  

COD ID: 2312687
CIF file

HKL data

Original IUCr paper

 Formula: - Al4 Ba6 O15 Y2 -
Comments: Simura, Rayko; Suzuki, Yamato; Yamane, Hisanori Perovskite-related structures of Ba<sub>2</sub>YAlO<sub>5</sub> and the β and α phases of Ba<sub>6</sub>Y<sub>2</sub>Al<sub>4</sub>O<sub>15</sub> containing AlO<sub>4</sub> tetrahedra. Acta crystallographica. Section C, Structural chemistry 79(Pt 11) (2023) 464-471
Space group: P 1 m 1
Cell volume: 427.19
Cell parameters: 5.9019; 7.8744; 9.6538; 90; 107.794; 90;  

COD ID: 4001797
CIF file Formula: - Li25 Nd125 O600 Ti200 -
Comments: Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites Chemistry of Materials 25(13) (2013) 2670-2683
Space group: P 1 m 1
Cell volume: 11328
Cell parameters: 38.3106; 7.72437; 38.2799; 90; 90; 90;  

COD ID: 4003449
CIF file Formula: - F4 I K5 O12 W3 -
Comments: Wu, Chao; Lin, Lin; Jiang, Xingxing; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Halasyamani, P. Shiv; Zhang, Chi K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold Chemistry of Materials 31(24) (2019) 10100
Space group: P 1 m 1
Cell volume: 386.44
Cell parameters: 9.7129; 3.7122; 10.9575; 90; 102.007; 90;  

COD ID: 4066934
CIF file Formula: - C30 H72 O3 Si9 -
Comments: Berkefeld, André; Troegel, Dennis; Burschka, Christian; Tacke, Reinhold Synthesis and Characterization of {[Tris(trimethylsilyl)silyl]methyl}silanes of the Formula Type Me4−nSi[CH2Si(SiMe3)3]n(n= 1−3) and Derivatives Organometallics 29(20) (2010) 4548
Space group: P 1 m 1
Cell volume: 2367.6
Cell parameters: 10.017; 26.789; 10.0531; 90; 118.64; 90;  

COD ID: 4109817
CIF file Formula: - C37 H55 Cu N O5 -
Comments: Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II) Journal of the American Chemical Society 129 (2007) 10512-10521
Space group: P 1 m 1
Cell volume: 1909.5
Cell parameters: 10.341; 17.855; 10.3418; 90; 90.073; 90;  

COD ID: 4119149
CIF file

HKL data

 Formula: - K Nb O3 -
Comments: Seungwook Kim; Ju-Hyuck Lee; Jaeyeon Lee; Sang-Woo Kim; Myung Hwa Kim; Sungnam Park; Haegeun Chung; Yong-Il Kim; Woong Kim Synthesis of Monoclinic Potassium Niobate Nanowires That Are Stable at Room Temperature Journal of the American Chemical Society 135 (2013) 6-9
Space group: P 1 m 1
Cell volume: 65.005
Cell parameters: 4.04976; 3.99218; 4.02076; 90; 90.1012; 90;  

COD ID: 4306162
CIF file Formula: - C10 H16 Br6 In2 P2 -
Comments: Fei Cheng; Sarah I. Friend; Andrew L. Hector; William Levason; Gillian Reid; Michael Webster; Wenjian Zhang Preparation, Characterization, and Structural Systematics of Diphosphane and Diarsane Complexes of Indium(III) Halides Inorganic Chemistry 47 (2008) 9691-9700
Space group: P 1 m 1
Cell volume: 588
Cell parameters: 7.0489; 10.496; 7.984; 90; 95.457; 90;  

COD ID: 4309523
CIF file Formula: - C24 H19 B2 Cu2 N9 -
Comments: Haijun Yao; Matthew L. Kuhlman; Thomas B. Rauchfuss; Scott R. Wilson Organo-Tricyanoborates as Tectons: Illustrative Coordination Polymers Based on Copper(I) Derivatives Inorganic Chemistry 44 (2005) 6256-6264
Space group: P 1 m 1
Cell volume: 849
Cell parameters: 8.464; 7.613; 13.176; 90; 90.482; 90;  

COD ID: 4312633
CIF file Formula: - C4 Ag5 N4 S8 Sb3 -
Comments: Paz Vaqueiro; Ann M. Chippindale; Andrew R. Cowley; Anthony V. Powell Templated Synthesis of the Novel Layered Silver-Antimony Sulfides [H3NCH2CH2NH2][Ag2SbS3] and [H3NCH2CH2NH2]2[Ag5Sb3S8] Inorganic Chemistry 42 (2003) 7846-7851
Space group: P 1 m 1
Cell volume: 1141.63
Cell parameters: 6.2215; 15.7707; 11.6478; 90; 92.645; 90;  

COD ID: 4325045
CIF file Formula: - In O8 Se2 V -
Comments: Dong Woo Lee; Seung-Jin Oh; P. Shiv Halasyamani; Kang Min Ok New Quaternary Tellurite and Selenite: Synthesis, Structure, and Characterization of Centrosymmetric InVTe2O8 and Noncentrosymmetric InVSe2O8 Inorganic Chemistry 50 (2011) 4473-4480
Space group: P 1 m 1
Cell volume: 333.47
Cell parameters: 4.6348; 6.9111; 10.507; 90; 97.77; 90;  

COD ID: 4348367
CIF file Formula: - C8 H24 I6 N2 Pb2 -
Comments: Liu, Guangfeng; Liu, Jie; Sun, Zhihua; Zhang, Zhenyi; Chang, Lei; Wang, Junling; Tao, Xutang; Zhang, Qichun Thermally Induced Reversible Double Phase Transitions in an Organic-Inorganic Hybrid Iodoplumbate C4H12NPbI3 with Symmetry Breaking. Inorganic chemistry 55(16) (2016) 8025-8030
Space group: P 1 m 1
Cell volume: 1281
Cell parameters: 9.6621; 15.84; 9.6626; 90; 119.98; 90;  

COD ID: 4516817
CIF file Formula: - C24.75 H29 Cl2 N2 O2.75 S2 -
Comments: Zhang, Wei; Gan, Shiyu; Vezzoli, Andrea; Davidson, Ross J.; Milan, David C.; Luzyanin, Konstantin V.; Higgins, Simon J.; Nichols, Richard J.; Beeby, Andrew; Low, Paul J.; Li, Buyi; Niu, Li Single-Molecule Conductance of Viologen-Cucurbit[8]uril Host-Guest Complexes. ACS nano 10(5) (2016) 5212-5220
Space group: P 1 m 1
Cell volume: 1295.85
Cell parameters: 7.7704; 16.1957; 10.2976; 90; 90.612; 90;  

COD ID: 7008754
CIF file Formula: - C22 H65 Br3 Cu2 N8 O12 P2 -
Comments: Füzerová, Silvia; Kotek, Jan; Císarová, Ivana; Hermann, Petr; Binnemans, Koen; Lukes, Ivan Cyclam (1,4,8,11-tetraazacyclotetradecane) with one methylphosphonate pendant arm: a new ligand for selective copper(ii) binding. Dalton transactions (Cambridge, England : 2003) (issue 17) (2005) 2908-2915
Space group: P 1 m 1
Cell volume: 2035
Cell parameters: 9.0641; 26.5943; 9.4785; 90; 117.044; 90;  

COD ID: 7218665
CIF file Formula: - C12 H12 F3 I3 N4 -
Comments: Syssa-Magalé, Jean-Laurent; Boubekeur, Kamal; Leroy, Jacques; Chamoreau, Lise-Marie; Fave, Claire; Schöllhorn, Bernd Directed synthesis of a halogen-bonded open porphyrin network CrystEngComm 16(45) (2014) 10380
Space group: P 1 m 1
Cell volume: 901.3
Cell parameters: 5.8849; 24.903; 6.2247; 90; 98.864; 90;  

COD ID: 7248322
CIF file Formula: - C11 H12 B F2 N O2 S Si -
Comments: Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents RSC Medicinal Chemistry (2024)
Space group: P 1 m 1
Cell volume: 654.86
Cell parameters: 8.7169; 7.4368; 10.3692; 90; 103.038; 90;  

COD ID: 7702339
CIF file Formula: - C15 H21 Cl3 I2 N4 Pd S6 -
Comments: Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lelj, Francesco; Lippolis, Vito; Pedraglio, Samuele; Verani, Gaetano Synthesis, X-ray crystal structure and spectroscopic characterization of the new dithiolene [Pd(Et2timdt)2] and of its adduct with molecular diiodine [Pd(Et2timdt)2]·I2·CHCl3 (Et2timdt = monoanion of 1,3-diethylimidazolidine-2,4,5-trithione) Journal of the Chemical Society, Dalton Transactions (issue 22) (1998) 3731
Space group: P 1 m 1
Cell volume: 3007
Cell parameters: 21.724; 12.901; 11.004; 90; 102.83; 90;  

COD ID: 7707106
CIF file Formula: - N5 Na2 -
Comments: Bykov, Maxim; Bykova, Elena; Chariton, Stella; Prakapenka, Vitali B.; Batyrev, Iskander G.; Mahmood, Mohammad F.; Goncharov, Alexander F. Stabilization of pentazolate anions in the high-pressure compounds Na<sub>2</sub>N<sub>5</sub> and NaN<sub>5</sub> and in the sodium pentazolate framework NaN<sub>5</sub>·N<sub>2</sub>. Dalton transactions (Cambridge, England : 2003) 50(21) (2021) 7229-7237
Space group: P 1 m 1
Cell volume: 53.1
Cell parameters: 4.781; 2.5873; 4.934; 90; 119.6; 90;  

COD ID: 8000226
CIF file Formula: - Ce H2 O8.5 S2 -
Comments: Yu Ranbo; Wang Dan; Ishiwata, S.; Xing Xianran; Chen Yunfa; Saito, T.; Takano, M. A novel open-framework cerium sulfate hydrate: Synthesis and characterization Chemistry Letters 2004 (2004) 1186-1187
Space group: P 1 m 1
Cell volume: 351.401
Cell parameters: 7.095; 5.423; 9.24; 90; 98.73; 90;  

COD ID: 8000356
CIF file Formula: - C14 H18 Co N2 O5 -
Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284
Space group: P 1 m 1
Cell volume: 460.99
Cell parameters: 6.1071; 7.0985; 10.6748; 90; 95.017; 90;  

COD ID: 8000357
CIF file Formula: - C14 H18 Co N2 O5 -
Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284
Space group: P 1 m 1
Cell volume: 459.64
Cell parameters: 6.1054; 7.0878; 10.6638; 90; 95.094; 90;  

COD ID: 8000358
CIF file Formula: - C14 H18 Co N2 O5 -
Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284
Space group: P 1 m 1
Cell volume: 460.28
Cell parameters: 6.1006; 7.0942; 10.6767; 90; 95.052; 90;  

COD ID: 8000359
CIF file Formula: - C14 H18 Co N2 O5 -
Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284
Space group: P 1 m 1
Cell volume: 459.55
Cell parameters: 6.0947; 7.0901; 10.6768; 90; 95.09; 90;  

COD ID: 8000360
CIF file Formula: - C14 H18 Co N2 O5 -
Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284
Space group: P 1 m 1
Cell volume: 460.139
Cell parameters: 6.0947; 7.0944; 10.6845; 90; 95.116; 90;  

COD ID: 8000369
CIF file Formula: - C14 H17 Co N2 O5 -
Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284
Space group: P 1 m 1
Cell volume: 459.63
Cell parameters: 6.0764; 7.0959; 10.704; 90; 95.196; 90;  

COD ID: 8000370
CIF file Formula: - C14 H18 Co N2 O5 -
Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284
Space group: P 1 m 1
Cell volume: 458.2
Cell parameters: 6.0655; 7.074; 10.725; 90; 95.28; 90;  

COD ID: 8000371
CIF file Formula: - C14 H16 Co N2 O5 -
Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284
Space group: P 1 m 1
Cell volume: 454.8
Cell parameters: 6.0509; 7.0817; 10.657; 90; 95.19; 90;  

COD ID: 8000387
CIF file Formula: - C14 H18 Co N2 O5 -
Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284
Space group: P 1 m 1
Cell volume: 462.8
Cell parameters: 6.115; 7.1238; 10.661; 90; 94.83; 90;  

COD ID: 9003103
CIF file Formula: - H79 Mg48 O147 Si34 -
Comments: Capitani, G.; Mellini, M. The modulated crystal structure of antigorite: The m = 17 polysome American Mineralogist 89 (2004) 147-158
Space group: P 1 m 1
Cell volume: 2922.33
Cell parameters: 43.505; 9.251; 7.263; 90; 91.32; 90;  

COD ID: 9004514
CIF file Formula: - H62 Mg48 O147 Si34 -
Comments: Uehara, S. TEM and XRD study of antigorite superstructures The Canadian Mineralogist 36 (1998) 1595-1605
Space group: P 1 m 1
Cell volume: 2904.39
Cell parameters: 43.3; 9.23; 7.27; 90; 91.6; 90;  

COD ID: 9006302
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: 19 Physics and Chemistry of Minerals 21 (1994) 269-284
Space group: P 1 m 1
Cell volume: 124.044
Cell parameters: 4.7082; 5.5282; 5.0064; 90; 107.835; 90;  

COD ID: 9011506
CIF file Formula: - Fe0.507 Ni0.493 -
Comments: Tagai, T.; Takeda, H. Superstructure of tetrataenite from the Saint Severin meteorite Zeitschrift fur Kristallographie 210 (1995) 14-18
Space group: P 1 m 1
Cell volume: 46.011
Cell parameters: 3.581; 3.582; 3.587; 90; 90.04; 90;  

COD ID: 9014625
CIF file Formula: - Mg39 O120 Si28 -
Comments: Dodony, I.; Posfai, M.; Buseck, P. R. Revised structure models for antigorite: An HRTEM study Note: n = 14 American Mineralogist 87 (2002) 1443-1457
Space group: P 1 m 1
Cell volume: 2349.92
Cell parameters: 35.02; 9.23; 7.27; 90; 90; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.