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Information card for entry 1567827
Preview
| Coordinates | 1567827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H36 Br3 Ir N6 Pd |
|---|---|
| Calculated formula | C30 H36 Br3 Ir N6 Pd |
| Title of publication | Towards New Coordination Modes of 1,2,3-Triazolylidene: Controlled by the Nature of 1st Metalation in a Heteroditopic Bis-NHC Ligand |
| Authors of publication | Rit, Arnab; Illam, Praseetha Mathoor; Tiwari, Chandra Shekhar |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 25.915 ± 0.002 Å |
| b | 20.09 ± 0.002 Å |
| c | 15.4825 ± 0.0016 Å |
| α | 90° |
| β | 115.662 ± 0.005° |
| γ | 90° |
| Cell volume | 7265.6 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.211 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278715 (current) | 2022-10-22 | cif/ Adding structures of 1567820, 1567821, 1567822, 1567823, 1567824, 1567825, 1567826, 1567827, 1567828 via cif-deposit CGI script. |
1567827.cif |
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Users of the data should acknowledge the original authors of the
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