Information card for entry 7700029

Structure parameters

• Formula: C117 H94 N2 O6 P4 Ru2
• Calculated formula: C117 H94 N2 O6 P4 Ru2
• Title of publication: Bidentate Ru(ii)-NC complexes as catalysts for the dehydrogenative reaction from primary alcohols to carboxylic acids.
• Authors of publication: Gong, Dawei; Hu, Bowen; Chen, Dafa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8826 - 8834
• a: 10.7587 ± 0.0002 Å
• b: 43.2244 ± 0.0008 Å
• c: 19.8552 ± 0.0003 Å
• α: 90°
• β: 91.064 ± 0.002°
• γ: 90°
• Cell volume: 9231.8 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No