Information card for entry 4134744

Structure parameters

• Formula: C38.88 H51.66 Ni P2 S Si
• Calculated formula: C38.884 H51.652 Ni 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: 19.6982 ± 0.0013 Å
• b: 18.6978 ± 0.0013 Å
• c: 20.3197 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7484 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No