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Information card for entry 7011906
Preview
Coordinates | 7011906.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 02sw031 |
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Formula | C31 H43 Cl N3 Rh Si |
Calculated formula | C31 H43 Cl N3 Rh Si |
SMILES | C1(N(C=CN1c1cccc(n1)[Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)=[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl |
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 | 10.3072 ± 0.0004 Å |
b | 21.6566 ± 0.0008 Å |
c | 14.1863 ± 0.0006 Å |
α | 90° |
β | 98.883 ± 0.001° |
γ | 90° |
Cell volume | 3128.7 ± 0.2 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 | 0.0845 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.0951 |
Weighted residual factors for all reflections included in the refinement | 0.1066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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