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Information card for entry 4063846
Preview
Coordinates | 4063846.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H40 Cl Ir O6 P2 |
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Calculated formula | C28 H40 Cl Ir O6 P2 |
SMILES | [Ir]12(Cl)([P](Oc3c1ccc(OC)c3)(C(C)C)C(C)C)([P](Oc1c(ccc(OC)c1)C2=O)(C(C)C)C(C)C)C#[O] |
Title of publication | Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance |
Authors of publication | Obenhuber, Andreas; Ruhland, Klaus |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 1 |
Pages of publication | 171 |
a | 11.3488 ± 0.0001 Å |
b | 11.8367 ± 0.0001 Å |
c | 12.5025 ± 0.0001 Å |
α | 67.323 ± 0.001° |
β | 77.905 ± 0.001° |
γ | 73.822 ± 0.001° |
Cell volume | 1478.37 ± 0.02 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0282 |
Residual factor for significantly intense reflections | 0.0234 |
Weighted residual factors for significantly intense reflections | 0.0552 |
Weighted residual factors for all reflections included in the refinement | 0.0567 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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