Information card for entry 7713784

Structure parameters

• Formula: C78 H89.89 Cl0.11 F12 N6 P2 Ru2 Sb2
• Calculated formula: C78 H89.887 Cl0.113 F12.0047 N6 P2 Ru2 Sb2
• Title of publication: Molecular hydrogen and water activation by transition metal frustrated Lewis pairs containing ruthenium or osmium components: catalytic hydrogenation assays
• Authors of publication: Lamata, Pilar; Beard, Sophie; Grasa, Alejandro; Viguri, Fernando; Ricardo, Rodriguez Martinez; López, José A.; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 27.2956 ± 0.0012 Å
• b: 11.7168 ± 0.0005 Å
• c: 24.4621 ± 0.0011 Å
• α: 90°
• β: 92.768 ± 0.002°
• γ: 90°
• Cell volume: 7814.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No