Information card for entry 7110506

Structure parameters

• Formula: C58 H91 O P2 Ru Si
• Calculated formula: C58.5 H91 O0.5 P2 Ru Si
• Title of publication: X-Ray structure and theoretical studies of RuH2(η2-H2)(η2-H-SiPh3)(PCy3)2, a complex with two different η2-coordinated σ bonds
• Authors of publication: Hussein, Khansaa; Marsden, Colin J.; Barthelat, Jean-Claude; Rodriguez, Venancio; Conejero, Salvador; Sabo-Etienne, Sylviane; Donnadieu, Bruno; Chaudret, Bruno
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 14
• Pages of publication: 1315
• a: 12.7694 ± 0.0016 Å
• b: 20.991 ± 0.003 Å
• c: 21.691 ± 0.002 Å
• α: 94.763 ± 0.014°
• β: 103.677 ± 0.014°
• γ: 98.202 ± 0.015°
• Cell volume: 5550.1 ± 1.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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 all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 0.671
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No