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Information card for entry 7048557
Preview
| Coordinates | 7048557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C92 H144 Cl8 Mn2 N4 O10 Si4 |
|---|---|
| Calculated formula | C92 H144 Cl8 Mn2 N4 O10 Si4 |
| Title of publication | Dinuclear manganese(iii) complexes with bioinspired coordination and variable linkers showing weak exchange effects: a synthetic, structural, spectroscopic and computation study. |
| Authors of publication | Shova, Sergiu; Vlad, Angelica; Cazacu, Maria; Krzystek, J.; Ozarowski, Andrew; Malček, Michal; Bucinsky, Lukas; Rapta, Peter; Cano, Joan; Telser, Joshua; Arion, Vladimir B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 18 |
| Pages of publication | 5909 - 5922 |
| a | 11.8837 ± 0.0017 Å |
| b | 12.7755 ± 0.0019 Å |
| c | 18.564 ± 0.003 Å |
| α | 73.414 ± 0.005° |
| β | 81.359 ± 0.005° |
| γ | 72.378 ± 0.005° |
| Cell volume | 2568.1 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0838 |
| Residual factor for significantly intense reflections | 0.0765 |
| Weighted residual factors for significantly intense reflections | 0.2179 |
| Weighted residual factors for all reflections included in the refinement | 0.227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7048557.cif |
| 224401 | 2019-11-08 | cif/ Updating files of 7048556, 7048557, 7048558 Original log message: Adding full bibliography for 7048556--7048558.cif. |
7048557.cif |
| 212964 | 2019-01-11 | cif/ Adding structures of 7048556, 7048557, 7048558 via cif-deposit CGI script. |
7048557.cif |
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Users of the data should acknowledge the original authors of the
structural data.