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Information card for entry 7713483
Preview
| Coordinates | 7713483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H62 Cl6 N2 O6 V |
|---|---|
| Calculated formula | C42 H62 Cl6 N2 O6 V |
| Title of publication | Impact of Ligand Chlorination and Counterion Tuning on High-Field Spin Relaxation in a Series of V(IV) Complexes |
| Authors of publication | Martinez, Roxanna; Jackson, Cassidy E.; Üngör, Ökten; van Tol, Johan; Zadrozny, Joseph |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 15.2509 ± 0.0004 Å |
| b | 15.2509 ± 0.0004 Å |
| c | 18.9173 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3810.49 ± 0.19 Å3 |
| Cell temperature | 104 ± 2 K |
| Ambient diffraction temperature | 104.52 K |
| Number of distinct elements | 6 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.0362 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285265 (current) | 2023-07-19 | cif/ Adding structures of 7713481, 7713482, 7713483 via cif-deposit CGI script. |
7713483.cif |
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Users of the data should acknowledge the original authors of the
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