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Information card for entry 7708157
Preview
| Coordinates | 7708157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H29 Cl2 Ir N2 O |
|---|---|
| Calculated formula | C22 H29 Cl2 Ir N2 O |
| SMILES | [Ir]1234(Cl)(Cl)(=C5N(C=CN5C)Cc5cccc(OC)c5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C |
| Title of publication | Steric Effects on Acetate-Assisted Cyclometallation of meta-substituted N-phenyl and N-benzyl imidazolium salts at [MCl2Cp*]2 (M = Ir, Rh). |
| Authors of publication | Davies, David L.; Singh, Kuldip; Tamosiunaite, Neringa |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 11.369 ± 0.006 Å |
| b | 8.613 ± 0.005 Å |
| c | 12.615 ± 0.007 Å |
| α | 90° |
| β | 115.248 ± 0.008° |
| γ | 90° |
| Cell volume | 1117.3 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0407 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268336 (current) | 2021-09-01 | cif/ Adding structures of 7708157 via cif-deposit CGI script. |
7708157.cif |
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