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Information card for entry 7228513
Preview
| Coordinates | 7228513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C156 H182 Ca4 Cl8 Mn12 N12 O99 |
|---|---|
| Calculated formula | C156 H182 Ca4 Cl8 Mn12 N12 O99 |
| 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 | 25.8236 ± 0.0003 Å |
| b | 14.88011 ± 0.0002 Å |
| c | 27.1462 ± 0.0004 Å |
| α | 90° |
| β | 107.259 ± 0.0014° |
| γ | 90° |
| Cell volume | 9961.5 ± 0.2 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 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 | 0.0555 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0882 |
| Weighted residual factors for all reflections included in the refinement | 0.0991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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. |
7228513.cif |
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Users of the data should acknowledge the original authors of the
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