Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7210370
Preview
| Coordinates | 7210370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Bis(benzoylacetonato)bis(3-aminopyridine)manganese(II) |
|---|---|
| Formula | C30 H30 Mn N4 O4 |
| Calculated formula | C30 H30 Mn N4 O4 |
| SMILES | CC1=CC(c2ccccc2)=[O][Mn]2([n]3cc(ccc3)N)(O1)([n]1cc(N)ccc1)OC(=CC(c1ccccc1)=[O]2)C |
| 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 | 7.5573 ± 0.0003 Å |
| b | 17.7535 ± 0.0007 Å |
| c | 10.6145 ± 0.0004 Å |
| α | 90° |
| β | 101.146 ± 0.003° |
| γ | 90° |
| Cell volume | 1397.27 ± 0.1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0623 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0712 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
| 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. |
7210370.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. |
7210370.cif |
| 87608 | 2013-08-27 | cif/ Adding structures of 7210367, 7210368, 7210369, 7210370, 7210371, 7210372, 7210373, 7210374 via cif-deposit CGI script. |
7210370.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.