Information card for entry 4080073

Structure parameters

• Formula: C41 H62 Cl Ir P2 Si
• Calculated formula: C41 H62 Cl Ir P2 Si
• SMILES: c12c(cccc1c1c(cc(cc1C[Si]2(Cl)[Ir]1[P](C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C)C)c1c(cc(cc1C)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: 14.427 ± 0.005 Å
• b: 16.079 ± 0.005 Å
• c: 18.585 ± 0.005 Å
• α: 90 ± 0.005°
• β: 103.041 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4200 ± 2 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 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: 0.125
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No