Information card for entry 7020017

Structure parameters

• Formula: C47 H38 Cl2 O4 P2 Ru
• Calculated formula: C47 H38 Cl2 O4 P2 Ru
• Title of publication: Hydrogenolysis of β-O-4 lignin model dimers by a ruthenium-xantphos catalyst.
• Authors of publication: Wu, Adam; Patrick, Brian O.; Chung, Enoch; James, Brian R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 11093 - 11106
• a: 9.689 ± 0.002 Å
• b: 14.871 ± 0.003 Å
• c: 14.223 ± 0.003 Å
• α: 90°
• β: 99.352 ± 0.003°
• γ: 90°
• Cell volume: 2022.1 ± 0.7 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No