Information card for entry 4088979

Structure parameters

• Common name: sef2_142
• Chemical name: sef2_142_0ma
• Formula: C71 H67 Cl4 F18 N12 O2 P5 Ru2
• Calculated formula: C71 H67 Cl4 F18 N12 O2 P5 Ru2
• Title of publication: H2 Production Mediated by CO2 via Initial Reduction to Formate
• Authors of publication: Norris, Michael R.; Flowers, Sarah E.; Mathews, Ashley M.; Cossairt, Brandi M.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 17
• Pages of publication: 2778
• a: 27.5062 ± 0.0015 Å
• b: 12.3658 ± 0.0006 Å
• c: 24.5908 ± 0.0013 Å
• α: 90°
• β: 110.471 ± 0.005°
• γ: 90°
• Cell volume: 7836 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No