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Information card for entry 2021623
Preview
Coordinates | 2021623.cif |
---|---|
Structure factors | 2021623.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[[aqua(μ~2~-benzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^){μ~2~-2-[(1<i>H</i>-imidazol-1-yl)methyl]-1<i>H</i>-benzimidazole-κ^2^<i>N</i>:<i>N</i>'}cadmium(II)] dihydrate] |
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Formula | C19 H20 Cd N4 O7 |
Calculated formula | C19 H20 Cd N4 O7 |
Title of publication | Effects of two benzenedicarboxylic acids on the construction of Cd^II^ coordination polymers incorporating a flexible N-donor ligand |
Authors of publication | Li, Xiao-Fei; Cheng, Di; Meng, Xiang-Ru; Yang, Huai-Xia |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 6 |
a | 8.9624 ± 0.0018 Å |
b | 10.256 ± 0.002 Å |
c | 13.07 ± 0.003 Å |
α | 96.13 ± 0.03° |
β | 106.88 ± 0.03° |
γ | 113.57 ± 0.03° |
Cell volume | 1019.1 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0363 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0641 |
Weighted residual factors for all reflections included in the refinement | 0.0663 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
215191 (current) | 2019-05-16 | cif/ hkl/ Adding structures of 2021622, 2021623 via cif-deposit CGI script. |
2021623.cif 2021623.hkl |
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Users of the data should acknowledge the original authors of the
structural data.