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Information card for entry 1549441
Preview
| Coordinates | 1549441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H14 Mn N4 O7 |
|---|---|
| Calculated formula | C14 H14 Mn N4 O7 |
| SMILES | [OH2][Mn]123(ON(=O)=[O]3)(ON(=O)=[O]2)[n]2c(C)ccc3c2c2[n]1c(C)ccc2cc3 |
| Title of publication | XRD structure of two heptacoordinated Mn(II) complexes containing 2,9-dimethyl-1,10-phenanthroline (phen), nitrato and nicotinato bidentate anions: [Mn(phen)(nicot)(NO3)(H2O)]·EtOH·H2O and [Mn(phen)(NO3)2(H2O)] |
| Authors of publication | El-Azzouzi, Nabila; Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A.; Moreno-Carretero, Miguel N. |
| Journal of publication | Polyhedron |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 5 |
| Pages of publication | 1405 |
| a | 7.5244 ± 0.0005 Å |
| b | 10.5204 ± 0.0019 Å |
| c | 20.806 ± 0.003 Å |
| α | 90° |
| β | 95.374 ± 0.011° |
| γ | 90° |
| Cell volume | 1639.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1287 |
| Weighted residual factors for all reflections included in the refinement | 0.151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| 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 |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1549441.cif |
| 207908 | 2018-05-22 | cif/ Adding structures of 1549441 via cif-deposit CGI script. |
1549441.cif |
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