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Information card for entry 4088133
Preview
| Coordinates | 4088133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 I2 N3 |
|---|---|
| Calculated formula | C17 H13 I2 N3 |
| SMILES | [I-].Ic1n2c3ncccc3cc(c3ccccc3)c2[n+](c1)C |
| Title of publication | Oxidative Route to Abnormal NHC Compounds from Singly Bonded [M‒M] (M = Ru, Rh, Pd) Precursors |
| Authors of publication | Saha, Sayantani; Daw, Prosenjit; Bera, Jitendra K. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 23 |
| Pages of publication | 5509 |
| a | 8.8 ± 0.0003 Å |
| b | 9.4116 ± 0.0003 Å |
| c | 10.2665 ± 0.0003 Å |
| α | 82.092 ± 0.001° |
| β | 82.864 ± 0.001° |
| γ | 75.942 ± 0.001° |
| Cell volume | 813.33 ± 0.04 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.0216 |
| Weighted residual factors for significantly intense reflections | 0.0423 |
| Weighted residual factors for all reflections included in the refinement | 0.0449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237303 (current) | 2019-11-24 | cif/ Adding structures of 4088131, 4088132, 4088133, 4088134, 4088135 via cif-deposit CGI script. |
4088133.cif |
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Users of the data should acknowledge the original authors of the
structural data.