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Information card for entry 1572953
Preview
| Coordinates | 1572953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Hexaaquanickel(II) dichloride–1,4,7,10,13,16-hexaoxacyclooctadecane–water (1/2/2) |
|---|---|
| Formula | C12 H32 Cl Ni0.5 O10 |
| Calculated formula | C12 H32 Cl Ni0.5 O10 |
| Authors of publication | Brannon, Jacob P.; Liang, Kevin; Stieber, S. Chantal E. |
| Year of publication | 2024 |
| a | 7.6472 ± 0.0002 Å |
| b | 10.418 ± 0.0003 Å |
| c | 12.7214 ± 0.0003 Å |
| α | 77.288 ± 0.001° |
| β | 77.649 ± 0.001° |
| γ | 75.4 ± 0.001° |
| Cell volume | 943.16 ± 0.04 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 104.95 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 | 0.0226 |
| Residual factor for significantly intense reflections | 0.0216 |
| Weighted residual factors for significantly intense reflections | 0.0548 |
| Weighted residual factors for all reflections included in the refinement | 0.0556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295625 (current) | 2024-10-25 | cif/ Adding structures of 1572953 via cif-deposit CGI script. |
1572953.cif |
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