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Information card for entry 7229469
Preview
| Coordinates | 7229469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H15 Br2 Mn N5 |
|---|---|
| Calculated formula | C15 H15 Br2 Mn N5 |
| SMILES | [Mn]12([n]3c([nH]c4ccccc34)N(C)[N]1=C(C)c1[n]2cccc1)(Br)Br |
| Title of publication | Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand |
| Authors of publication | Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta |
| Journal of publication | RSC Advances |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 80 |
| Pages of publication | 50858 |
| a | 7.6305 ± 0.0005 Å |
| b | 8.9863 ± 0.0005 Å |
| c | 13.5352 ± 0.0008 Å |
| α | 83.946 ± 0.005° |
| β | 75.427 ± 0.006° |
| γ | 67.854 ± 0.006° |
| Cell volume | 831.92 ± 0.1 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0287 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0566 |
| Weighted residual factors for all reflections included in the refinement | 0.0587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202515 (current) | 2017-11-02 | cif/ Adding structures of 7229467, 7229468, 7229469, 7229470, 7229471, 7229472 via cif-deposit CGI script. |
7229469.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.