Crystallography Open Database

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Searching journal of publication like 'IUCrJ' volume of publication is 8

COD ID: 1559801
CIF file Formula: - Al0.17 Ca0.18 F0.08 Fe5.4 H1.92 Mg1.25 O23.92 Si8 -
Comments: Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F. Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction IUCrJ 8(1) (2021) 76-86
Space group: C 1 2/m 1
Cell volume: 907.67
Cell parameters: 9.54396; 18.2455; 5.3266; 90; 101.883; 90;  

COD ID: 1559802
CIF file Formula: - Al0.22 Ca0.17 Fe5.3 H2 Mg1.31 O24 Si8 -
Comments: Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F. Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction IUCrJ 8(1) (2021) 76-86
Space group: C 1 2/m 1
Cell volume: 904.57
Cell parameters: 9.5343; 18.221; 5.3202; 90; 101.846; 90;  

COD ID: 1559807
CIF file Formula: - As3 Fe H16 O17 -
Comments: Steciuk, Gwladys; Majzlan, Juraj; Plášil, Jakub Hydrogen disorder in kaatialaite Fe[AsO~2~(OH)~2~]5H~2~O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction IUCrJ 8(1) (2021) 116-123
Space group: P 1 21/n 1
Cell volume: 1481.71
Cell parameters: 15.4357; 20.01; 4.7994; 90; 91.728; 90;  

COD ID: 1559957
CIF file Formula: - C7 H4 N Na O4.875 S -
Comments: Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ 8(1) (2021) 139-147
Space group: C 1 2/n 1
Cell volume: 3904.8
Cell parameters: 18.7488; 7.1526; 29.1812; 90; 93.7725; 90;  

COD ID: 1559958
CIF file Formula: - C7 H4 N Na O4.875 S -
Comments: Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ 8(1) (2021) 139-147
Space group: C 1 2/n 1
Cell volume: 3903.97
Cell parameters: 18.747; 7.1519; 29.1807; 90; 93.7723; 90;  

COD ID: 1559959
CIF file Formula: - C7 H4 N Na O4.875 S -
Comments: Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ 8(1) (2021) 139-147
Space group: C 1 2/n 1
Cell volume: 3865.97
Cell parameters: 18.6705; 7.123; 29.1292; 90; 93.6645; 90;  

COD ID: 1559960
CIF file Formula: - C7 H4 N Na O4.875 S -
Comments: Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ 8(1) (2021) 139-147
Space group: C 1 2/n 1
Cell volume: 3827.25
Cell parameters: 18.5979; 7.0922; 29.0731; 90; 93.5819; 90;  

COD ID: 1559961
CIF file Formula: - C7 H4 N Na O4.875 S -
Comments: Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ 8(1) (2021) 139-147
Space group: C -1
Cell volume: 3810.31
Cell parameters: 18.5729; 7.0819; 29.0233; 89.9808; 93.511; 89.9763;  

COD ID: 1560041
CIF file

Original IUCr paper

 Formula: - C20 H22 N4 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1
Cell volume: 1051.59
Cell parameters: 7.7162; 8.9727; 16.9089; 86.559; 78.838; 66.314;  

COD ID: 1560042
CIF file Formula: - C18 H23 N4 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 958
Cell parameters: 7.658; 9.277; 15.152; 79.304; 82.008; 65.214;  

COD ID: 1560043
CIF file Formula: - C32 H23 N3 O3.99 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 2488.6
Cell parameters: 9.2447; 14.4694; 19.3202; 93.232; 102.634; 97.795;  

COD ID: 1560044
CIF file Formula: - C12 H13 N3 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: C 1 2/c 1
Cell volume: 1255.9
Cell parameters: 8.7482; 14.926; 10.2464; 90; 110.165; 90;  

COD ID: 1560045
CIF file Formula: - C19 H15 N3 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 786.4
Cell parameters: 7.7638; 8.5897; 12.723; 105.585; 102.978; 95.062;  

COD ID: 1560046
CIF file Formula: - C26 H21 N5 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1116.2
Cell parameters: 7.3217; 11.6513; 13.9987; 105.915; 102.665; 91.242;  

COD ID: 1560047
CIF file Formula: - C42 H34 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 918.7
Cell parameters: 7.4323; 9.1138; 14.562; 106.397; 103.133; 90.486;  

COD ID: 1560048
CIF file Formula: - C18 H17 N3 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21/c 1
Cell volume: 1685.5
Cell parameters: 17.802; 7.5355; 12.5671; 90; 91.187; 90;  

COD ID: 1560049
CIF file Formula: - C18 H15 N3 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21/c 1
Cell volume: 1618.3
Cell parameters: 17.9122; 7.4259; 12.1765; 90; 92.337; 90;  

COD ID: 1560050
CIF file Formula: - C16 H13 N5 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21/c 1
Cell volume: 1584.6
Cell parameters: 18.213; 7.2967; 11.94; 90; 92.967; 90;  

COD ID: 1560051
CIF file Formula: - C20 H25 N5 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1003.7
Cell parameters: 7.7563; 8.1082; 16.24; 97.387; 95.164; 95.007;  

COD ID: 1560052
CIF file Formula: - C13 H15 N3 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21/n 1
Cell volume: 1312.1
Cell parameters: 10.1301; 12.6967; 10.3338; 90; 99.17; 90;  

COD ID: 1560053
CIF file Formula: - C29 H26 N3 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21 1
Cell volume: 1207.6
Cell parameters: 7.7925; 12.885; 12.398; 90; 104.054; 90;  

COD ID: 1560054
CIF file Formula: - C58 H50 N6 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 2442.9
Cell parameters: 13.337; 13.504; 16.069; 75.831; 66.422; 67.934;  

COD ID: 1560055
CIF file Formula: - C40 H46 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 951.99
Cell parameters: 7.5319; 8.6425; 15.3925; 78.729; 75.782; 89.099;  

COD ID: 1560056
CIF file Formula: - C38 H42 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 930.47
Cell parameters: 7.4104; 8.8964; 15.7722; 95.531; 101.446; 111.676;  

COD ID: 1560057
CIF file Formula: - C22 H23 N3 O4 S2 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1108
Cell parameters: 7.6512; 8.9495; 18.121; 87.883; 78.725; 65.728;  

COD ID: 1560058
CIF file Formula: - C62 H50 N6 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1212.5
Cell parameters: 7.684; 9.266; 18.043; 96.343; 94.419; 107.054;  

COD ID: 1560059
CIF file Formula: - C50 H52 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1119.7
Cell parameters: 7.7634; 8.9486; 16.368; 83.021; 82.842; 88.111;  

COD ID: 1560060
CIF file Formula: - C42 H42 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 987.7
Cell parameters: 7.5543; 8.914; 14.713; 85.797; 88.497; 89.487;  

COD ID: 1560061
CIF file Formula: - C42 H40 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 994.9
Cell parameters: 7.504; 9.428; 14.102; 94.052; 91.192; 90.498;  

COD ID: 1560062
CIF file Formula: - C40 H40 N6 O8 S2 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 956.5
Cell parameters: 7.489; 9.107; 14.187; 97.784; 93.611; 90.872;  

COD ID: 1560063
CIF file Formula: - C40 H38 N6 O8 S2 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 959
Cell parameters: 7.514; 9.272; 13.852; 83.832; 89.887; 88.173;  

COD ID: 1560064
CIF file Formula: - C41 H41 N7 O8 S -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 977.4
Cell parameters: 7.4741; 9.2215; 14.295; 96.245; 92.609; 92.314;  

COD ID: 1560065
CIF file Formula: - C41 H39 N7 O8 S -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 950.8
Cell parameters: 7.4078; 9.3192; 13.815; 94.239; 91.445; 90.299;  

COD ID: 1560066
CIF file Formula: - C14 H16 Cl2 N2 O2 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21/n 1
Cell volume: 1496.9
Cell parameters: 9.302; 9.394; 17.66; 90; 104.075; 90;  

COD ID: 1560067
CIF file Formula: - C72 H48 Cl4 N10 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1442.4
Cell parameters: 10.807; 12.145; 12.466; 108.22; 104.061; 101.072;  

COD ID: 1560068
CIF file Formula: - C12 H12 Cl2 N2 O2 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21/c 1
Cell volume: 1357
Cell parameters: 8.188; 15.73; 11.247; 90; 110.491; 90;  

COD ID: 1560069
CIF file Formula: - C44 H42 Cl4 N4 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: C 1 2/c 1
Cell volume: 7958
Cell parameters: 42.727; 8.899; 22.92; 90; 114.062; 90;  

COD ID: 1560070
CIF file Formula: - C84 H54 Cl4 N4 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: C 1 2/c 1
Cell volume: 6440
Cell parameters: 33.873; 10.374; 18.332; 90; 91.186; 90;  

COD ID: 1560071
CIF file Formula: - C28 H22 Cl2 N2 O2 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1157.1
Cell parameters: 8.8453; 10.4891; 12.694; 94.129; 94.866; 98.239;  

COD ID: 1560072
CIF file Formula: - C80 H66 Cl8 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21 1
Cell volume: 7161
Cell parameters: 17.219; 22.693; 18.331; 90; 91.312; 90;  

COD ID: 1560131
CIF file Formula: - C23 H20 N4 O10 -
Comments: Xia, Yanming; Wei, Yuanfeng; Chen, Hui; Qian, Shuai; Zhang, Jianjun; Gao, Yuan Competitive cocrystallization and its application in the separation of flavonoids IUCrJ 8(2) (2021) 195-207
Space group: P 1 21/n 1
Cell volume: 2138.8
Cell parameters: 19.932; 4.461; 24.275; 90; 97.73; 90;  

COD ID: 1560861
CIF file Formula: - C26 H32 N2 Ni O2 -
Comments: Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions IUCrJ 8(3) (2021)
Space group: P -1
Cell volume: 550.52
Cell parameters: 6.4256; 7.7129; 11.9856; 98.709; 101.8; 104.3;  

COD ID: 1560862
CIF file Formula: - C26 H32 Cu N2 O2 -
Comments: Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions IUCrJ 8(3) (2021)
Space group: P -1
Cell volume: 553.99
Cell parameters: 6.4641; 7.7224; 11.9925; 97.647; 101.861; 105.261;  

COD ID: 1560863
CIF file Formula: - C34 H36 N2 Ni O2 -
Comments: Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions IUCrJ 8(3) (2021)
Space group: P 1 21/n 1
Cell volume: 1328.97
Cell parameters: 6.0847; 10.5704; 20.8597; 90; 97.882; 90;  

COD ID: 1560864
CIF file Formula: - C34 H36 Cu N2 O2 -
Comments: Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A. Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions IUCrJ 8(3) (2021)
Space group: P 1 21/n 1
Cell volume: 1334.59
Cell parameters: 11.0325; 5.6889; 21.554; 90; 99.41; 90;  

COD ID: 1563356
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1386.1
Cell parameters: 6.7493; 10.072; 20.462; 90; 94.781; 90;  

COD ID: 1563357
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1389.55
Cell parameters: 6.7637; 10.0716; 20.4697; 90; 94.79; 90;  

COD ID: 1563358
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1395.66
Cell parameters: 6.7832; 10.0779; 20.4867; 90; 94.754; 90;  

COD ID: 1563359
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1399.44
Cell parameters: 6.7983; 10.0786; 20.4949; 90; 94.744; 90;  

COD ID: 1563360
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1405.74
Cell parameters: 6.8159; 10.0882; 20.5143; 90; 94.74; 90;  

COD ID: 1563361
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1414.64
Cell parameters: 6.8491; 10.096; 20.5281; 90; 94.735; 90;  

COD ID: 1563362
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1416.84
Cell parameters: 6.855; 10.0998; 20.5333; 90; 94.69; 90;  

COD ID: 1563363
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1422.27
Cell parameters: 6.8717; 10.105; 20.5512; 90; 94.688; 90;  

COD ID: 1563364
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1421.47
Cell parameters: 6.8752; 10.1004; 20.5391; 90; 94.709; 90;  

COD ID: 1563365
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1440.8
Cell parameters: 6.9337; 10.1217; 20.599; 90; 94.713; 90;  

COD ID: 1563366
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1448.86
Cell parameters: 6.9626; 10.1312; 20.609; 90; 94.7; 90;  

COD ID: 1563367
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1409.12
Cell parameters: 6.8312; 10.0839; 20.5232; 90; 94.635; 90;  

COD ID: 1563368
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1381.77
Cell parameters: 6.7445; 10.0486; 20.4539; 90; 94.589; 90;  

COD ID: 1563369
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1344.51
Cell parameters: 6.6277; 10.005; 20.3418; 90; 94.609; 90;  

COD ID: 1563370
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1306.38
Cell parameters: 6.5155; 9.9444; 20.2293; 90; 94.662; 90;  

COD ID: 1563371
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1280.84
Cell parameters: 6.4387; 9.9135; 20.1349; 90; 94.729; 90;  

COD ID: 1563372
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1218.56
Cell parameters: 6.259; 9.8519; 19.8571; 90; 95.624; 90;  

COD ID: 1563373
CIF file Formula: - C15 H7 Cl2 N4 O2 -
Comments: Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure IUCrJ 8(4) (2021)
Space group: P 1 21/n 1
Cell volume: 1200.12
Cell parameters: 6.2058; 9.8299; 19.7739; 90; 95.781; 90;  

COD ID: 1564497
CIF file Formula: - C10 H24 Cl2 Co N4 S2 -
Comments: Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob Quantifying magnetic anisotropy using X-ray and neutron diffraction IUCrJ 8(5) (2021)
Space group: P 1 21/n 1
Cell volume: 1779.16
Cell parameters: 9.9071; 12.7019; 14.1556; 90; 92.824; 90;  

COD ID: 1564498
CIF file Formula: - C10 H24 Br2 Co N4 S2 -
Comments: Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob Quantifying magnetic anisotropy using X-ray and neutron diffraction IUCrJ 8(5) (2021)
Space group: P 1 21/n 1
Cell volume: 1857.1
Cell parameters: 9.798; 12.961; 14.636; 90; 92.363; 90;  

COD ID: 1564942
CIF file

Original IUCr paper

 Formula: - C20 H14 O2 -
Comments: Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ 8(6) (2021)
Space group: P n m a
Cell volume: 1340.87
Cell parameters: 7.21024; 16.4876; 11.2792; 90; 90; 90;  

COD ID: 1564943
CIF file Formula: - C20 H14 O2 -
Comments: Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ 8(6) (2021)
Space group: P n m a
Cell volume: 1348.6
Cell parameters: 7.2462; 16.536; 11.255; 90; 90; 90;  

COD ID: 1564944
CIF file Formula: - C20 H14 O2 -
Comments: Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ 8(6) (2021)
Space group: P n m a
Cell volume: 1305
Cell parameters: 7.15; 16.17; 11.288; 90; 90; 90;  

COD ID: 1564945
CIF file Formula: - C20 H14 O2 -
Comments: Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ 8(6) (2021)
Space group: P n m a
Cell volume: 1279.3
Cell parameters: 7.0642; 16.22; 11.165; 90; 90; 90;  

COD ID: 1564946
CIF file Formula: - C20 H14 O2 -
Comments: Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ 8(6) (2021)
Space group: P n 21 a
Cell volume: 1262.4
Cell parameters: 7.03; 16.147; 11.1214; 90; 90; 90;  

COD ID: 1564947
CIF file Formula: - C20 H14 O2 -
Comments: Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ 8(6) (2021)
Space group: P n 21 a
Cell volume: 1259.7
Cell parameters: 7.0202; 16.0775; 11.161; 90; 90; 90;  

COD ID: 1564948
CIF file Formula: - C20 H14 O2 -
Comments: Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ 8(6) (2021)
Space group: P n 21 a
Cell volume: 1245.7
Cell parameters: 6.9714; 16.139; 11.072; 90; 90; 90;  

COD ID: 1564949
CIF file Formula: - C20 H14 O2 -
Comments: Tchoń, D.; Makal, A. Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP IUCrJ 8(6) (2021)
Space group: P 1 1 21/a
Cell volume: 1213.3
Cell parameters: 6.8697; 15.96; 11.1099; 90; 90; 95.074;  


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