Information card for entry 4134746

Structure parameters

• Formula: C40 H52 N Ni O P2 S Si
• Calculated formula: C40 H52 N Ni O P2 S Si
• Title of publication: H₂ Evolution from a Thiolate-Bound Ni(III) Hydride.
• Authors of publication: Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 17
• Pages of publication: 7827 - 7835
• a: 16.5609 ± 0.0017 Å
• b: 19.0517 ± 0.001 Å
• c: 24.6555 ± 0.0018 Å
• α: 90°
• β: 108.276 ± 0.004°
• γ: 90°
• Cell volume: 7386.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No