Information card for entry 4118274

Structure parameters

• Formula: C32 H74 Ir2 Si4
• Calculated formula: C32 H74 Ir2 Si4
• SMILES: C(C)(C)(C)[SiH]([Ir]12[Ir]([SiH](C(C)(C)C)C(C)(C)C)([Si]1(C(C)(C)C)C(C)(C)C)[Si]2(C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Iridium-Catalyzed Reduction of Secondary Amides to Secondary Amines and Imines by Diethylsilane
• Authors of publication: Chen Cheng; Maurice Brookhart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 11304 - 11307
• a: 9.0957 ± 0.0004 Å
• b: 10.3988 ± 0.0004 Å
• c: 11.9486 ± 0.0005 Å
• α: 89.195 ± 0.003°
• β: 67.717 ± 0.003°
• γ: 77.097 ± 0.003°
• Cell volume: 1016.22 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No