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Information card for entry 7048401
Preview
| Coordinates | 7048401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ni4-Br] |
|---|---|
| Formula | C62 H65 Br4 N7 Ni4 O16 |
| Calculated formula | C62 H65 Br4 N7 Ni4 O16 |
| Title of publication | Crowding out: ligand modifications and their structure directing effects on brucite-like {M<sub>x</sub>(μ<sub>3</sub>-OH)<sub>y</sub>} (M = Co(ii), Ni(ii)) core growth within polymetallic cages. |
| Authors of publication | Slater-Parry, Mari E; Durrant, James P.; Howells, Joshua M.; Pitak, Mateusz B.; Horton, Peter N.; Klooster, Wim T.; Coles, Simon J.; O'Connor, Helen M; Brechin, Euan K.; Barra, Anne-Laure; Jones, Leigh F. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 4 |
| Pages of publication | 1477 - 1488 |
| a | 11.1808 ± 0.0005 Å |
| b | 15.8405 ± 0.0005 Å |
| c | 20.5877 ± 0.0005 Å |
| α | 105.986 ± 0.002° |
| β | 90.324 ± 0.003° |
| γ | 105.805 ± 0.003° |
| Cell volume | 3359.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0741 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1597 |
| Weighted residual factors for all reflections included in the refinement | 0.1773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 224075 (current) | 2019-11-07 | cif/ Updating files of 7048397, 7048398, 7048399, 7048400, 7048401, 7048402, 7048403 Original log message: Adding full bibliography for 7048397--7048403.cif. |
7048401.cif |
| 212702 | 2018-12-21 | cif/ Adding structures of 7048397, 7048398, 7048399, 7048400, 7048401, 7048402, 7048403 via cif-deposit CGI script. |
7048401.cif |
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Users of the data should acknowledge the original authors of the
structural data.