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Information card for entry 1567828
Preview
| Coordinates | 1567828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H66 I4 Ir2 N10 O |
|---|---|
| Calculated formula | C50 H66 I4 Ir2 N10 O |
| 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 | 10.1579 ± 0.0003 Å |
| b | 12.7784 ± 0.0003 Å |
| c | 22.2614 ± 0.0005 Å |
| α | 95.693 ± 0.002° |
| β | 98.958 ± 0.001° |
| γ | 94.414 ± 0.002° |
| Cell volume | 2827.66 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0888 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.131 |
| Weighted residual factors for all reflections included in the refinement | 0.1456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1567828.cif |
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