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Information card for entry 7230737
Preview
| Coordinates | 7230737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H34 F2 N12 Ni O5 |
|---|---|
| Calculated formula | C18 H34 F2 N12 Ni O5 |
| Title of publication | Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals |
| Authors of publication | Jian, Fang Fang; Liu, E.; Ma, Jun Ying |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 27 |
| Pages of publication | 3849 |
| a | 8.9 ± 0.0018 Å |
| b | 21.14 ± 0.004 Å |
| c | 15.03 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2827.8 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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. |
7230737.cif |
| 228914 | 2019-11-17 | cif/ Updating files of 7230735, 7230736, 7230737 Original log message: Adding full bibliography for 7230735--7230737.cif. |
7230737.cif |
| 207977 | 2018-05-25 | cif/ Adding structures of 7230735, 7230736, 7230737 via cif-deposit CGI script. |
7230737.cif |
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Users of the data should acknowledge the original authors of the
structural data.