Information card for entry 7713788

Structure parameters

• Formula: C78 H89.55 Cl0.45 F12 N6 Os2 P2 Sb2
• Calculated formula: C78 H89.547 Cl0.453 F12 N6 Os2 P2 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: 27.612 ± 0.004 Å
• b: 11.6966 ± 0.0018 Å
• c: 24.349 ± 0.004 Å
• α: 90°
• β: 94.223 ± 0.004°
• γ: 90°
• Cell volume: 7843 ± 2 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: 0.0344
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No