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Information card for entry 7709775
Preview
| Coordinates | 7709775.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H51 B2 Ir N2 O P2 |
|---|---|
| Calculated formula | C32 H51 B2 Ir N2 O P2 |
| SMILES | [Ir]12(C3B(N(N(B3C[P]2(C(C)(C)C)C(C)(C)C)c2ccccc2)c2ccccc2)C[P]1(C(C)(C)C)C(C)(C)C)C#[O] |
| Title of publication | Synthesis and reactivity of PC(sp3)P-pincer iridium complexes bearing a diborylmethyl anion |
| Authors of publication | Kishino, Masamichi; Takaoka, Satoko; Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 12.1072 ± 0.0002 Å |
| b | 18.3581 ± 0.0003 Å |
| c | 16.2005 ± 0.0003 Å |
| α | 90° |
| β | 111.723 ± 0.002° |
| γ | 90° |
| Cell volume | 3345.09 ± 0.11 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0292 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.0516 |
| Weighted residual factors for all reflections included in the refinement | 0.0532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273763 (current) | 2022-03-18 | cif/ Adding structures of 7709773, 7709774, 7709775, 7709776, 7709777, 7709778 via cif-deposit CGI script. |
7709775.cif |
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Users of the data should acknowledge the original authors of the
structural data.