Information card for entry 7011906

Structure parameters

• Common name: 02sw031
• 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 ų
• 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