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Information card for entry 4078116
Preview
Coordinates | 4078116.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H47 Ir P2 |
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Calculated formula | C34 H47 Ir P2 |
SMILES | [Ir]12([P](c3c(C=2c2c([P]1(C(C)C)C(C)C)cccc2)cccc3)(C(C)C)C(C)C)c1c(cc(cc1C)C)C |
Title of publication | β-Elimination-Immune PCcarbeneP Iridium Complexes via Double C‒H Activation: Ligand‒Metal Cooperation in Hydrogen Activation |
Authors of publication | Burford, Richard J.; Piers, Warren E.; Parvez, Masood |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 2949 |
a | 10.1632 ± 0.0004 Å |
b | 11.1101 ± 0.0005 Å |
c | 15.4725 ± 0.0007 Å |
α | 97.4904 ± 0.0012° |
β | 92.3654 ± 0.0016° |
γ | 115.573 ± 0.0014° |
Cell volume | 1553.14 ± 0.12 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 | 0.037 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0773 |
Weighted residual factors for all reflections included in the refinement | 0.0798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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