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Information card for entry 8106541
Preview
| Coordinates | 8106541.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H27 Cu N4 O12.5 |
|---|---|
| Calculated formula | C22 H27 Cu N4 O12.5 |
| Title of publication | Crystal structure of tetraaqua-bis(1,3-benzimidazol-3-ium-1,3-diacetato-κO)copper(II) hemihydrate, C22H27CuN4O12.50 |
| Authors of publication | Zhang, Qian; Chen, Lei; Yu, Qiong-Yan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 375 - 377 |
| a | 7.395 ± 0.0011 Å |
| b | 9.4574 ± 0.0015 Å |
| c | 9.6619 ± 0.0015 Å |
| α | 81.139 ± 0.002° |
| β | 75.457 ± 0.003° |
| γ | 77.974 ± 0.003° |
| Cell volume | 636.02 ± 0.17 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 | 0.0389 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280517 (current) | 2023-01-23 | cif/ Adding structures of 8106541 via cif-deposit CGI script. |
8106541.cif |
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Users of the data should acknowledge the original authors of the
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