Information card for entry 4104823

Structure parameters

• Formula: C34 H54 Ir N P2
• Calculated formula: C34 H54 Ir N P2
• SMILES: [Ir]123(N(c4c([P]1(C(C)C)C(C)C)cc(cc4)C)c1c([P]2(C(C)C)C(C)C)cc(cc1)C)[CH]1=[CH]3CCCCCC1
• Title of publication: Synthesis and Structure of PNP-Supported Iridium Silyl and Silylene Complexes: Catalytic Hydrosilation of Alkenes
• Authors of publication: Elisa Calimano; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11161 - 11173
• a: 9.404 ± 0.002 Å
• b: 16.248 ± 0.003 Å
• c: 21.85 ± 0.005 Å
• α: 90°
• β: 94.913 ± 0.004°
• γ: 90°
• Cell volume: 3326.3 ± 1.2 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 152 ± 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: 0.0898
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No