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Information card for entry 7229470
Preview
| Coordinates | 7229470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H19 Cu F6 N5 O7 S2 |
|---|---|
| Calculated formula | C18 H19 Cu F6 N5 O7 S2 |
| SMILES | [Cu]12([n]3c([nH]c4ccccc34)N(C)[N]1=C(C)c1[n]2cccc1)(OS(=O)(=O)C(F)(F)F)[OH]C.C(F)(F)(F)S(=O)(=O)[O-] |
| 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 | 8.0767 ± 0.0003 Å |
| b | 11.3717 ± 0.0005 Å |
| c | 13.9815 ± 0.0008 Å |
| α | 76.3 ± 0.004° |
| β | 82.265 ± 0.004° |
| γ | 85.663 ± 0.003° |
| Cell volume | 1234.98 ± 0.1 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0321 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0685 |
| Weighted residual factors for all reflections included in the refinement | 0.0709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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 |
|---|---|---|---|
| 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. |
7229470.cif |
| 202515 | 2017-11-02 | cif/ Adding structures of 7229467, 7229468, 7229469, 7229470, 7229471, 7229472 via cif-deposit CGI script. |
7229470.cif |
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Users of the data should acknowledge the original authors of the
structural data.