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Information card for entry 7226968
Preview
| Coordinates | 7226968.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H105 Mn10 N57 O24 |
|---|---|
| Calculated formula | C94 H88 Mn10 N57 O24 |
| Title of publication | New structural motifs in Mn cluster chemistry from the ketone/gem-diol and bis(gem¬-diol) forms of 2,6-di-(2-pyridylcarbonyl)pyridine: {MnII4MnIII2} and {MnII4MnIII6} complexes |
| Authors of publication | Giannopoulos, Dimosthenis; Cunha-Silva, Luis; Ballesteros-Garrido, Rafael; Ballesteros, Rafael; Abarca, Belén; Escuer, Albert; Stamatatos, Theocharis |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 29.294 ± 0.006 Å |
| b | 28.311 ± 0.006 Å |
| c | 16.462 ± 0.003 Å |
| α | 90° |
| β | 100.953 ± 0.007° |
| γ | 90° |
| Cell volume | 13404 ± 5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1555 |
| Residual factor for significantly intense reflections | 0.0978 |
| Weighted residual factors for significantly intense reflections | 0.221 |
| Weighted residual factors for all reflections included in the refinement | 0.2596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.871 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187702 (current) | 2016-10-31 | cif/ Adding structures of 7226967, 7226968 via cif-deposit CGI script. |
7226968.cif |
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