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Information card for entry 7708896
Preview
| Coordinates | 7708896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C200 H270 Mn10 N8 O32 |
|---|---|
| Calculated formula | C200 H244 Mn10 N8 O32 |
| Title of publication | Oxidation state variation in bis-calix[4]arene supported decametallic Mn clusters |
| Authors of publication | Brechin, Euan K.; Wilson, Lucinda; Coletta, Marco; Jose, Reshma; Rajaraman, Gopalan; Dalgarno, Scott |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 22.322 ± 0.006 Å |
| b | 18.903 ± 0.005 Å |
| c | 27.501 ± 0.007 Å |
| α | 90° |
| β | 106.949 ± 0.016° |
| γ | 90° |
| Cell volume | 11100 ± 5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.162 |
| Residual factor for significantly intense reflections | 0.1271 |
| Weighted residual factors for significantly intense reflections | 0.3615 |
| Weighted residual factors for all reflections included in the refinement | 0.395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.403 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270766 (current) | 2021-11-20 | cif/ Adding structures of 7708896 via cif-deposit CGI script. |
7708896.cif |
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Users of the data should acknowledge the original authors of the
structural data.