Information card for entry 4073367

Structure parameters

• Formula: C37 H71 Cl3 P2 Ru Si
• Calculated formula: C37 H71 Cl3 P2 Ru Si
• SMILES: C1(CCCCC1)[P](C1CCCCC1)(C1CCCCC1)[RuH2]([Si](C)(Cl)Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl
• Title of publication: Activation of Chlorosilanes at Ruthenium: A Route to Silyl σ-Dihydrogen Complexes
• Authors of publication: Lachaize, Sébastien; Caballero, Ana; Vendier, Laure; Sabo-Etienne, Sylviane
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 3713
• a: 14.8904 ± 0.0006 Å
• b: 12.2866 ± 0.0005 Å
• c: 22.655 ± 0.001 Å
• α: 90°
• β: 101.138 ± 0.004°
• γ: 90°
• Cell volume: 4066.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No