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Information card for entry 1574581
Preview
| Coordinates | 1574581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C91 H72 Cl N8 O3 Re |
|---|---|
| Calculated formula | C91 H72 Cl N8 O3 Re |
| Title of publication | Rhenium coordination-induced conformational modulation in nitrogen-doped nanographene |
| Authors of publication | Varghese, Eldhose V.; Liu, Yi-Hung; Chen, Hsing-Yin; Li, Chien-Hung; Chen, Chia-Hsiang |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 20.0184 ± 0.0006 Å |
| b | 21.3728 ± 0.0007 Å |
| c | 22.6375 ± 0.0008 Å |
| α | 83.5455 ± 0.0017° |
| β | 74.0558 ± 0.0017° |
| γ | 79.746 ± 0.0017° |
| Cell volume | 9143.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1458 |
| Residual factor for significantly intense reflections | 0.0761 |
| Weighted residual factors for significantly intense reflections | 0.2091 |
| Weighted residual factors for all reflections included in the refinement | 0.2756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.868 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299545 (current) | 2025-05-07 | cif/ Adding structures of 1574581, 1574582 via cif-deposit CGI script. |
1574581.cif |
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Users of the data should acknowledge the original authors of the
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