Information card for entry 4116442

Structure parameters

• Formula: C54 H80 I2 P2 Ru S
• Calculated formula: C54 H80 P2 Ru Si2
• SMILES: [RuH3]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[H][Si](CC[Si]1(C)C)(C)C.c1ccccc1.c1ccccc1
• 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
• Journal issue: 28
• Pages of publication: 6668 - 6682
• a: 9.907 ± 0.001 Å
• b: 10.9279 ± 0.0012 Å
• c: 24.785 ± 0.003 Å
• α: 99.037 ± 0.011°
• β: 99.503 ± 0.011°
• γ: 100.28 ± 0.011°
• Cell volume: 2555.4 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No