Information card for entry 7713786

Structure parameters

• Formula: C38.5 H62 Cl F12 N5 O Os P S Sb2
• Calculated formula: C32 H38 F12 N2 O Os P S 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: 10.1759 ± 0.0006 Å
• b: 15.263 ± 0.0008 Å
• c: 15.4343 ± 0.0008 Å
• α: 86.735 ± 0.001°
• β: 80.247 ± 0.001°
• γ: 81.259 ± 0.001°
• Cell volume: 2333.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No