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Information card for entry 7223564
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| Coordinates | 7223564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Cl2 F2 Mn N4 O2 |
|---|---|
| Calculated formula | C24 H18 Cl2 F2 Mn N4 O2 |
| SMILES | c1cccc2[n]1[Mn]1([n]3ccccc3C(Nc3ccc(F)cc3)=[O]1)([O]=C2Nc1ccc(F)cc1)(Cl)Cl |
| Title of publication | The role of intermolecular interactions involving halogens in the supramolecular architecture of a series of Mn(II) coordination compounds |
| Authors of publication | Khavasi, Hamid Reza; Ghanbarpour, Alireza; Azhdari Tehrani, Alireza |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 13.476 ± 0.004 Å |
| b | 19.011 ± 0.004 Å |
| c | 9.349 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2395.1 ± 1.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.0746 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171627 (current) | 2015-12-19 | cif/ Adding structures of 7223561, 7223562, 7223563, 7223564 via cif-deposit CGI script. |
7223564.cif |
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