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Information card for entry 7712301
Preview
| Coordinates | 7712301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 Ba Cl2 N2 O14 V |
|---|---|
| Calculated formula | C20 H22 Ba Cl2 N2 O14 V |
| Title of publication | Combined effects of the lewis acidity and electric field of proximal redox innocent metal ions on the redox potential of vanadyl Schiff base complexes: an experimental and theoretical study. |
| Authors of publication | Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| a | 11.5816 ± 0.0004 Å |
| b | 12.2757 ± 0.0004 Å |
| c | 12.4432 ± 0.0004 Å |
| α | 61.585 ± 0.001° |
| β | 62.339 ± 0.001° |
| γ | 71.137 ± 0.001° |
| Cell volume | 1366.16 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.39 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 | 0.0512 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1104 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280994 (current) | 2023-02-20 | cif/ Adding structures of 7712299, 7712300, 7712301 via cif-deposit CGI script. |
7712301.cif |
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Users of the data should acknowledge the original authors of the
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