Information card for entry 4116441

Structure parameters

• Formula: C42 H86 I2 P2 Ru S
• Calculated formula: C42 H86 P2 Ru Si2
• SMILES: [RuH2]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[H][Si](CC[Si]([H]1)(C)C)(C)C
• Title of publication: Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies
• Authors of publication: Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 6668 - 6682
• a: 12.7187 ± 0.0016 Å
• b: 19.1092 ± 0.0016 Å
• c: 18.068 ± 0.002 Å
• α: 90°
• β: 90.594 ± 0.013°
• γ: 90°
• Cell volume: 4391.1 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0247
• Goodness-of-fit parameter for significantly intense reflections: 1.0293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No