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Information card for entry 4330887
Preview
| Coordinates | 4330887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Mn(II)(pytren) Br2 |
|---|---|
| Formula | C26 H52 Br4 Mn2 N10 O4 |
| Calculated formula | C26 H52 Br4 Mn2 N10 O4 |
| Title of publication | A Binuclear MnIII Complex of a Scorpiand-Like Ligand Displaying a Single Unsupported MnIII-O-MnIII Bridge |
| Authors of publication | Salvador Blasco; Joan Cano; M. Paz Clares; Santiago García-Granda; Antonio Doménech; Hermas R. Jiménez; Begoña Verdejo; Francesc Lloret; Enrique García-España |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 11698 - 11706 |
| a | 10.6892 ± 0.0001 Å |
| b | 10.6892 ± 0.0001 Å |
| c | 55.4479 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5486.64 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 178 |
| Hermann-Mauguin space group symbol | P 61 2 2 |
| Hall space group symbol | P 61 2 (0 0 5) |
| Residual factor for all reflections | 0.0701 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4330887.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4330887.cif |
| 80346 | 2013-04-07 | cif/ Adding structures of 4330887 via cif-deposit CGI script. |
4330887.cif |
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Users of the data should acknowledge the original authors of the
structural data.