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Information card for entry 4311218
Preview
| Coordinates | 4311218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H30 Cl2 Mn N6 O9 |
|---|---|
| Calculated formula | C26 H28 Cl2 Mn N6 O9 |
| SMILES | c1cc[n]2[Mn]3456([n]7ccccc7C[N]3(CC[N]4(Cc3cccc[n]53)Cc3[n]6cccc3)Cc2c1)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Controlled Redox Conversion of New X-ray-Characterized Mono- and Dinuclear Heptacoordinated Mn(II) Complexes into Di-μ-oxo-dimanganese Core Complexes |
| Authors of publication | Christelle Hureau; Sébastien Blanchard; Martine Nierlich; Guillaume Blain; Eric Rivière; Jean-Jacques Girerd; Elodie Anxolabéhère-Mallart; Geneviève Blondin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 4415 - 4426 |
| a | 15.049 ± 0.003 Å |
| b | 9.932 ± 0.002 Å |
| c | 19.246 ± 0.004 Å |
| α | 90° |
| β | 94.21 ± 0.03° |
| γ | 90° |
| Cell volume | 2868.9 ± 1 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0539 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179151 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/12. |
4311218.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311218.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311218.cif |
| 31986 | 2012-01-04 | cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0 |
4311218.cif |
| 2713 | 2010-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4311218 via cif-deposit CGI script. |
4311218.cif |
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