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Information card for entry 7210369
Preview
| Coordinates | 7210369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Bis(benzoylacetonato)bis(3,5-dimethylpyridine)manganese(II) |
|---|---|
| Formula | C34 H36 Mn N2 O4 |
| Calculated formula | C34 H36 Mn N2 O4 |
| SMILES | CC1=CC(=[O][Mn]2([n]3cc(cc(c3)C)C)(O1)([n]1cc(cc(c1)C)C)OC(=CC(c1ccccc1)=[O]2)C)c1ccccc1 |
| Title of publication | Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives |
| Authors of publication | Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 33 |
| Pages of publication | 6585 |
| a | 13.5786 ± 0.0008 Å |
| b | 13.5686 ± 0.0012 Å |
| c | 18.24 ± 0.002 Å |
| α | 90° |
| β | 104.845 ± 0.008° |
| γ | 90° |
| Cell volume | 3248.4 ± 0.5 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0748 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.874 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7210369.cif |
| 180434 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/03. |
7210369.cif |
| 87608 | 2013-08-27 | cif/ Adding structures of 7210367, 7210368, 7210369, 7210370, 7210371, 7210372, 7210373, 7210374 via cif-deposit CGI script. |
7210369.cif |
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Users of the data should acknowledge the original authors of the
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