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Information card for entry 7011908
Preview
Coordinates | 7011908.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 02sw047 |
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Formula | C31 H42 Cl Ir N3 Si |
Calculated formula | C31 H42 Cl Ir N3 Si |
SMILES | C1=2N(C=CN1c1c(ccc(n1)[Si](C)(C)C)[Ir]1342([CH]2=[CH]1CC[CH]3=[CH]4CC2)Cl)c1c(cccc1C(C)C)C(C)C |
Title of publication | C???H activation with N-heterocyclic carbene complexes of iridium and rhodium |
Authors of publication | Danopoulos, Andreas A.; Winston, Scott; Hursthouse, Michael B. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 16 |
Pages of publication | 3090 |
a | 8.1132 ± 0.0016 Å |
b | 14.308 ± 0.003 Å |
c | 25.784 ± 0.006 Å |
α | 90° |
β | 93.99° |
γ | 90° |
Cell volume | 2985.8 ± 1.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1941 |
Residual factor for significantly intense reflections | 0.0781 |
Weighted residual factors for significantly intense reflections | 0.1352 |
Weighted residual factors for all reflections included in the refinement | 0.1711 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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