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Information card for entry 2241498
Preview
| Coordinates | 2241498.cif |
|---|---|
| Structure factors | 2241498.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(μ-2-benzoylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate) |
|---|---|
| Formula | C68 H50 Cl2 Mn2 N8 O14 |
| Calculated formula | C68 H50 Cl2 Mn2 N8 O14 |
| SMILES | [n]12ccccc1c1cccc[n]1[Mn]132([O]=C(O[Mn]24([n]5ccccc5c5cccc[n]25)([n]2ccccc2c2[n]4cccc2)[O]=C(O3)c2ccccc2C(=O)c2ccccc2)c2ccccc2C(=O)c2ccccc2)[n]2ccccc2c2cccc[n]12.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Crystal structure of bis(μ-2-benzoylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate) |
| Authors of publication | Kani, Ibrahim |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | m265 - m266 |
| a | 13.348 ± 0.004 Å |
| b | 17.136 ± 0.005 Å |
| c | 14.499 ± 0.004 Å |
| α | 90° |
| β | 111.321 ± 0.01° |
| γ | 90° |
| Cell volume | 3089.4 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241498.cif 2241498.hkl |
| 181915 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241498.cif 2241498.hkl |
| 174749 | 2016-01-22 | cif/ hkl/ Adding structures of 2241498 via cif-deposit CGI script. |
2241498.cif 2241498.hkl |
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