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Information card for entry 7714234
Preview
| Coordinates | 7714234.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H44 Cl Cu F12 N6 S |
|---|---|
| Calculated formula | C57 H44 Cl Cu F12 N6 S |
| Title of publication | Interplay between anti-anti and syn-anti conformation of thiourea modulating ON-OFF catalysis |
| Authors of publication | Benny, Renitta; De, Soumen |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 12.904 ± 0.003 Å |
| b | 14.672 ± 0.003 Å |
| c | 14.907 ± 0.003 Å |
| α | 80.438 ± 0.008° |
| β | 84.213 ± 0.008° |
| γ | 66.335 ± 0.007° |
| Cell volume | 2547.2 ± 1 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 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 | 0.2389 |
| Residual factor for significantly intense reflections | 0.0842 |
| Weighted residual factors for significantly intense reflections | 0.1789 |
| Weighted residual factors for all reflections included in the refinement | 0.2602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287008 (current) | 2023-10-18 | cif/ Adding structures of 7714232, 7714233, 7714234 via cif-deposit CGI script. |
7714234.cif |
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Users of the data should acknowledge the original authors of the
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