Information card for entry 4080071

Structure parameters

• Formula: C38 H65 P2 Rh Si
• Calculated formula: C38 H65 P2 Rh Si
• SMILES: C1[P](C(C)(C)C)(C(C)(C)C)[Rh]([Si]2(c3ccccc3)c3c(cc(cc3C(C)C)C(C)C)C(C)C2)[P]1(C(C)(C)C)C(C)(C)C
• Title of publication: Multiple Si‒H Bond Activations bytBu2PCH2CH2PtBu2andtBu2PCH2PtBu2Di(phosphine) Complexes of Rhodium and Iridium
• Authors of publication: Fasulo, Meg E.; Calimano, Elisa; Buchanan, J. Matthew; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 4
• Pages of publication: 1016
• a: 19.6862 ± 0.0027 Å
• b: 9.8564 ± 0.0014 Å
• c: 22.0025 ± 0.003 Å
• α: 90 ± 0°
• β: 111.727 ± 0.002°
• γ: 90 ± 0°
• Cell volume: 3966 ± 1 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 2 K
• Number of distinct elements: 5
• 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: 0.1105
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No