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Information card for entry 4306700
Preview
| Coordinates | 4306700.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H27 Cl2 Mn N5 O9 |
|---|---|
| Calculated formula | C21 H27 Cl2 Mn N5 O9 |
| SMILES | [Mn]1234([N](CC[N]3(Cc3[n]4cccc3)C)(Cc3[n]2cccc3)Cc2[n]1cccc2)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Characterizations of Chloro and Aqua Mn(II) Mononuclear Complexes with Amino-Pyridine Ligands. Comparison of Their Electrochemical Properties With Those of Fe(II) Counterparts |
| Authors of publication | Sihem Groni; Christelle Hureau; Régis Guillot; Geneviève Blondin; Guillaume Blain; Elodie Anxolabéhère-Mallart |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 11783 - 11797 |
| a | 16.558 ± 0.005 Å |
| b | 12.802 ± 0.005 Å |
| c | 12.896 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2733.6 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.206 |
| Weighted residual factors for all reflections included in the refinement | 0.221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179105 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/67. |
4306700.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306700.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306700.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4306700.cif |
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