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Information card for entry 7228512
Preview
| Coordinates | 7228512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H42 Ca2 Cl0.8 Mn2 N9.2 O19.8 |
|---|---|
| Calculated formula | C39 H42 Ca2 Cl0.8036 Mn2 N9.1964 O19.8036 |
| 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 | 10.5975 ± 0.0006 Å |
| b | 11.4166 ± 0.0007 Å |
| c | 11.7527 ± 0.0006 Å |
| α | 61.595 ± 0.006° |
| β | 79.18 ± 0.005° |
| γ | 68.553 ± 0.005° |
| Cell volume | 1163.97 ± 0.14 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 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 | 0.0549 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1149 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7228512.cif |
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Users of the data should acknowledge the original authors of the
structural data.