Information card for entry 4126509

Structure parameters

• Common name: PPNLGaNiH
• Formula: C75 H90 Ga N5 Ni P5
• Calculated formula: C75 H90 Ga N5 Ni P5
• Title of publication: A bimetallic nickel-gallium complex catalyzes CO2 hydrogenation via the intermediacy of an anionic d(10) nickel hydride.
• Authors of publication: Cammarota, Ryan C.; Vollmer, Matthew V.; Xie, Jing; Ye, Jingyun; Linehan, John C.; Burgess, Samantha A.; Appel, Aaron M.; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 22.6991 ± 0.0012 Å
• b: 13.8494 ± 0.0007 Å
• c: 25.4751 ± 0.0012 Å
• α: 90°
• β: 103.819 ± 0.002°
• γ: 90°
• Cell volume: 7776.8 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0874
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No