Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4306699
Preview
| Coordinates | 4306699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H31 Cl2 Mn N7 O4 |
|---|---|
| Calculated formula | C28 H31 Cl2 Mn N7 O4 |
| SMILES | [Mn]12345(Cl)[n]6c(C[N]3(CC[N]4(Cc3[n]1cccc3)Cc1[n]5cccc1)Cc1[n]2cccc1)cccc6.Cl(=O)(=O)(=O)[O-].C(#N)C |
| 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 | 14.4793 ± 0.0011 Å |
| b | 10.1617 ± 0.0008 Å |
| c | 20.4651 ± 0.0015 Å |
| α | 90° |
| β | 92.042 ± 0.001° |
| γ | 90° |
| Cell volume | 3009.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0706 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1455 |
| Weighted residual factors for all reflections included in the refinement | 0.1626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179104 (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 4/30/66. |
4306699.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306699.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306699.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4306699.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.