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Information card for entry 7223561
Preview
| Coordinates | 7223561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Cl2 I2 Mn N4 O2 |
|---|---|
| Calculated formula | C24 H18 Cl2 I2 Mn N4 O2 |
| SMILES | c1cccc2C(Nc3ccc(I)cc3)=[O][Mn]3([n]12)(Cl)([n]1ccccc1C(Nc1ccc(I)cc1)=[O]3)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 | 13.339 ± 0.0012 Å |
| b | 9.4207 ± 0.0007 Å |
| c | 20.8663 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2622.1 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0648 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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. |
7223561.cif |
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