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Information card for entry 7228511
Preview
| Coordinates | 7228511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H54 Ca2 Cl4 Mn2 N8 O20 |
|---|---|
| Calculated formula | C46 H54 Ca2 Cl4 Mn2 N8 O20 |
| 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 | 24.66 ± 0.002 Å |
| b | 11.8933 ± 0.001 Å |
| c | 20.3808 ± 0.0014 Å |
| α | 90° |
| β | 107.529 ± 0.007° |
| γ | 90° |
| Cell volume | 5699.9 ± 0.8 Å3 |
| Cell temperature | 173 ± 0.14 K |
| Ambient diffraction temperature | 173 ± 0.14 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1294 |
| Residual factor for significantly intense reflections | 0.0826 |
| Weighted residual factors for significantly intense reflections | 0.1918 |
| Weighted residual factors for all reflections included in the refinement | 0.2199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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. |
7228511.cif |
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Users of the data should acknowledge the original authors of the
structural data.