Information card for entry 4080072

Structure parameters

• Formula: C60 H102 Cl2 Ir2 P4 Si
• Calculated formula: C60 H102 Cl2 Ir2 P4 Si
• SMILES: c1(ccccc1)[Si]1(c2ccccc2)[Ir]23([P](C(C)(C)C)(C(C)(C)C)C[P]2(C(C)(C)C)C(C)(C)C)[Cl][Ir]21([P](C(C)(C)C)(C(C)(C)C)C[P]2(C(C)(C)C)C(C)(C)C)[Cl]3.Cc1ccccc1.Cc1ccccc1
• 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: 22.7047 ± 0.0016 Å
• b: 15.6915 ± 0.0011 Å
• c: 20.2858 ± 0.0014 Å
• α: 90°
• β: 105.026 ± 0.001°
• γ: 90°
• Cell volume: 6980.1 ± 0.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No