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Information card for entry 1564429
Preview
| Coordinates | 1564429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 Ca N12 O6 |
|---|---|
| Calculated formula | C16 H18 Ca N12 O6 |
| Title of publication | Synthesis and anticancer property of three new Ca (II) compounds derived from tetrazole carboxylate ligands |
| Authors of publication | Shen, Lei; Chen, Jianjiao; Zou, Zhenyuan; Ke, Zhen; Wei, Bo; Yang, Jie; Zou, Dengfeng |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 509 |
| Pages of publication | 119659 |
| a | 7.8247 ± 0.0016 Å |
| b | 10.101 ± 0.002 Å |
| c | 14.815 ± 0.003 Å |
| α | 99.91 ± 0.03° |
| β | 90.86 ± 0.03° |
| γ | 95.17 ± 0.03° |
| Cell volume | 1148.2 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.2195 |
| Residual factor for significantly intense reflections | 0.1107 |
| Weighted residual factors for significantly intense reflections | 0.2061 |
| Weighted residual factors for all reflections included in the refinement | 0.2464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268284 (current) | 2021-08-30 | cif/ Adding structures of 1564429, 1564430, 1564431 via cif-deposit CGI script. |
1564429.cif |
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Users of the data should acknowledge the original authors of the
structural data.