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Information card for entry 8107322
Preview
| Coordinates | 8107322.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 N6 O8 Zn |
|---|---|
| Calculated formula | C18 H20 N6 O8 Zn |
| Title of publication | Crystal structure of tetraaqua-bis[4-(1H-1,2,4-triazol-1-yl)benzoato-κ1 N]zinc(II), C18H20ZnN6O8 |
| Authors of publication | Du, Yu-Chang; Li, Yan; Xiong, Chen; Li, Bin; Wei, Hao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 6 |
| Pages of publication | 1159 - 1160 |
| a | 6.183 ± 0.0005 Å |
| b | 7.0301 ± 0.0006 Å |
| c | 12.1369 ± 0.0011 Å |
| α | 80.665 ± 0.001° |
| β | 87.976 ± 0.002° |
| γ | 72.051 ± 0.001° |
| Cell volume | 495.17 ± 0.07 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 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 | 0.0664 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1148 |
| Weighted residual factors for all reflections included in the refinement | 0.1243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284417 (current) | 2023-06-09 | cif/ Adding structures of 8107322 via cif-deposit CGI script. |
8107322.cif |
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