Information card for entry 1558164

Structure parameters

• Formula: C16 H29 Cl F6 N2 O P Ru Sb
• Calculated formula: C16 H29 Cl F6 N2 O P Ru Sb
• 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: 11.7394 ± 0.0001 Å
• b: 14.7656 ± 0.0002 Å
• c: 14.6955 ± 0.0002 Å
• α: 90°
• β: 108.172 ± 0.001°
• γ: 90°
• Cell volume: 2420.26 ± 0.05 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: 0.037
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No