Information card for entry 4134745

Structure parameters

• Formula: C36 H45 K Ni P2 S Si
• Calculated formula: C36 H45 K 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: 10.579 ± 0.0004 Å
• b: 26.7073 ± 0.0009 Å
• c: 13.485 ± 0.0005 Å
• α: 90°
• β: 96.329 ± 0.001°
• γ: 90°
• Cell volume: 3786.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 7
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No