Information card for entry 7713789

Structure parameters

• Formula: C39 H49 F6 N4 O3 Ru Sb
• Calculated formula: C39 H49 F6 N4 O3 Ru Sb
• SMILES: [Ru]1234567([n]8ccccc8[C@@H](C[C@H]2C(=O)OC)[N]1=C(Nc1ccc(cc1)C)Nc1ccc(cc1)C)[cH]1[c]3(C(C)C)[cH]5[cH]6[c]4([cH]71)C.[Sb](F)(F)(F)(F)([F-])F.C1OCCC1
• 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: 11.6436 ± 0.0008 Å
• b: 15.564 ± 0.0011 Å
• c: 21.8392 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3957.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No