Information card for entry 1558165

Structure parameters

• Formula: C17 H31 Cl F6 N2 O P Ru Sb
• Calculated formula: C17 H31 Cl F6 N2 O P Ru Sb
• SMILES: [Sb](F)(F)([F-])(F)(F)F.[Ru]12345(Cl)([N]#CN(C)C)([cH]6[cH]1[c]4([cH]5[cH]2[c]36C(C)C)C)[P](OCC)(C)C
• Title of publication: Catalytic hydration of cyanamides with phosphinous acid-based ruthenium(ii) and osmium(ii) complexes: scope and mechanistic insights
• Authors of publication: González-Fernández, Rebeca; Álvarez, Daniel; Crochet, Pascale; Cadierno, Victorio; Menéndez, M. Isabel; López, Ramón
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 4084 - 4098
• a: 8.3717 ± 0.0003 Å
• b: 21.574 ± 0.0006 Å
• c: 14.8558 ± 0.0006 Å
• α: 90°
• β: 105.025 ± 0.004°
• γ: 90°
• Cell volume: 2591.39 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No