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Information card for entry 7229472
Preview
| Coordinates | 7229472.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H33 F6 Fe N11 O6 S2 |
|---|---|
| Calculated formula | C34 H33 F6 Fe N11 O6 S2 |
| SMILES | [Fe]1234([n]5c([nH]c6ccccc56)N(C)[N]1=C(C)c1[n]2cccc1)[n]1c([nH]c2ccccc12)N(C)[N]3=C(C)c1[n]4cccc1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].N#CC |
| 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 | 9.7491 ± 0.0003 Å |
| b | 16.1976 ± 0.0004 Å |
| c | 24.3248 ± 0.0006 Å |
| α | 90° |
| β | 95.452 ± 0.002° |
| γ | 90° |
| Cell volume | 3823.8 ± 0.18 Å3 |
| Cell temperature | 180 ± 1 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.061 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1221 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229472.cif |
| 202515 | 2017-11-02 | cif/ Adding structures of 7229467, 7229468, 7229469, 7229470, 7229471, 7229472 via cif-deposit CGI script. |
7229472.cif |
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Users of the data should acknowledge the original authors of the
structural data.