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Information card for entry 7228510
Preview
| Coordinates | 7228510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H24 Ca Cl2 Mn N3 O9.95 |
|---|---|
| Calculated formula | C25 H24 Ca Cl2 Mn N3 O9.95 |
| Title of publication | Evolution of Manganese-Calcium Cluster Structures based on Nitrogen and Oxygen Donor Ligands |
| Authors of publication | Benniston, A. C.; Melnic, Silvia; Waddell, Paul G.; Sova, Sergiu |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 10.4621 ± 0.0005 Å |
| b | 11.6521 ± 0.0005 Å |
| c | 12.3464 ± 0.0005 Å |
| α | 87.205 ± 0.004° |
| β | 89.13 ± 0.004° |
| γ | 88.881 ± 0.004° |
| Cell volume | 1502.86 ± 0.11 Å3 |
| Cell temperature | 172.95 ± 0.1 K |
| Ambient diffraction temperature | 172.95 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1462 |
| Weighted residual factors for all reflections included in the refinement | 0.1556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197899 (current) | 2017-06-17 | cif/ Adding structures of 7228510, 7228511, 7228512, 7228513 via cif-deposit CGI script. |
7228510.cif |
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Users of the data should acknowledge the original authors of the
structural data.