Information card for entry 4515817

Structure parameters

• Formula: C28 H44 O3 Os P2
• Calculated formula: C28 H44 O3 Os P2
• Title of publication: Dehydrogenation of Formic Acid Promoted by a Trihydride-Hydroxo-Osmium(IV) Complex: Kinetics and Mechanism
• Authors of publication: Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 11314
• a: 15.878 ± 0.002 Å
• b: 10.9673 ± 0.0015 Å
• c: 16.462 ± 0.002 Å
• α: 90°
• β: 90.174 ± 0.002°
• γ: 90°
• Cell volume: 2866.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No