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Information card for entry 7236285
Preview
| Coordinates | 7236285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H19 N Ni O10 |
|---|---|
| Calculated formula | C13 H19 N Ni O10 |
| Title of publication | Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties |
| Authors of publication | Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie |
| Journal of publication | RSC Advances |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 7217 |
| a | 15.569 ± 0.003 Å |
| b | 7.7545 ± 0.0016 Å |
| c | 13.712 ± 0.003 Å |
| α | 90° |
| β | 99.11 ± 0.03° |
| γ | 90° |
| Cell volume | 1634.6 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0387 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236285.cif |
| 235351 | 2019-11-23 | cif/ Adding structures of 7236281, 7236282, 7236283, 7236284, 7236285, 7236286 via cif-deposit CGI script. |
7236285.cif |
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Users of the data should acknowledge the original authors of the
structural data.