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Information card for entry 7229372
Preview
| Coordinates | 7229372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 N12 O13 Zn3 |
|---|---|
| Calculated formula | C14 H6 N12 O13 Zn3 |
| Title of publication | New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties |
| Authors of publication | Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 14.1335 ± 0.0008 Å |
| b | 7.9549 ± 0.0005 Å |
| c | 20.8717 ± 0.0014 Å |
| α | 90° |
| β | 108.331 ± 0.001° |
| γ | 90° |
| Cell volume | 2227.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0268 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202259 (current) | 2017-10-24 | cif/ Adding structures of 7229372, 7229373, 7229374, 7229375, 7229376, 7229377, 7229378, 7229379, 7229380 via cif-deposit CGI script. |
7229372.cif |
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Users of the data should acknowledge the original authors of the
structural data.