Information card for entry 4081124

Structure parameters

• Formula: C61.8 H56.2 O P3 Ru
• Calculated formula: C61.8 H56.2 O P3 Ru
• Title of publication: New, Highly Efficient, Simple, Safe, and Scalable Synthesis of [(Ph3P)3Ru(CO)(H)2]
• Authors of publication: Samouei, Hamidreza; Grushin, Vladimir V.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4440
• a: 21.1681 ± 0.0009 Å
• b: 18.5763 ± 0.001 Å
• c: 25.2229 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9918.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No