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Information card for entry 7713356
Preview
| Coordinates | 7713356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H42 Cu2 I2 N4 P2 |
|---|---|
| Calculated formula | C58 H42 Cu2 I2 N4 P2 |
| Title of publication | Rotational isomerization: Spontaneous structural transformation of a thermally activated delayed fluorescence binuclear copper(I) complex |
| Authors of publication | Zhang, Xiaowen; Huang, Chun-Hua; Yang, Mingxue; Chen, Xu-Lin; Lu, Can-Zhong |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 12.3773 ± 0.0003 Å |
| b | 16.0279 ± 0.0004 Å |
| c | 12.3747 ± 0.0003 Å |
| α | 90° |
| β | 98.674 ± 0.001° |
| γ | 90° |
| Cell volume | 2426.84 ± 0.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200.15 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.02 |
| Residual factor for significantly intense reflections | 0.0173 |
| Weighted residual factors for significantly intense reflections | 0.0413 |
| Weighted residual factors for all reflections included in the refinement | 0.0428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284762 (current) | 2023-07-04 | cif/ Adding structures of 7713355, 7713356 via cif-deposit CGI script. |
7713356.cif |
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