Information card for entry 7713782

Structure parameters

• Formula: C32 H37 Cl F6 N2 Os P S Sb
• Calculated formula: C32 H37 Cl F6 N2 Os P S Sb
• SMILES: [Os]123456(Cl)([S]=C(NCC[P]1(c1ccccc1)c1ccccc1)Nc1ccc(cc1)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[Sb](F)(F)([F-])(F)(F)F
• 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: 10.3781 ± 0.0009 Å
• b: 10.4833 ± 0.0009 Å
• c: 16.9677 ± 0.0015 Å
• α: 97.174 ± 0.001°
• β: 103.529 ± 0.002°
• γ: 99.262 ± 0.001°
• Cell volume: 1745.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No