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Information card for entry 8106265
Preview
Coordinates | 8106265.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H22 N12 O4 Zn |
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Calculated formula | C22 H22 N12 O4 Zn |
SMILES | [Zn](OC(=O)C)(OC(=O)C)([n]1c([nH]c2c1cccc2)Cn1nnnc1)[n]1c([nH]c2ccccc12)Cn1nnnc1 |
Title of publication | Crystal structure of bis(acetato-κO)bis{2-((1H-tetrazol-1-yl)methyl)-1H-benzo[d]imidazole-κN}zinc(II), C22H22N12O4Zn |
Authors of publication | Li, Shan-Shan; Zhao, Xiao-Yang; Huang, Qiu-Ying; Meng, Xiang-Ru |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 233 |
Journal issue | 4 |
Pages of publication | 693 - 695 |
a | 9.864 ± 0.002 Å |
b | 8.6657 ± 0.0017 Å |
c | 30.803 ± 0.008 Å |
α | 90° |
β | 106.67 ± 0.03° |
γ | 90° |
Cell volume | 2522.3 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0799 |
Residual factor for significantly intense reflections | 0.063 |
Weighted residual factors for significantly intense reflections | 0.1506 |
Weighted residual factors for all reflections included in the refinement | 0.1625 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
279586 (current) | 2022-11-28 | cif/ Adding structures of 8106265 via cif-deposit CGI script. |
8106265.cif |
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Users of the data should acknowledge the original authors of the
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