Information card for entry 4346937

Structure parameters

• Formula: C39 H71 Ni3 P3 S
• Calculated formula: C39 H71 Ni3 P3 S
• Title of publication: Facile Deep and Ultradeep Hydrodesulfurization by the [((i)Pr3P)Ni]5H6 Cluster Compared to Mononuclear Ni Sources.
• Authors of publication: Shoshani, Manar M.; Johnson, Samuel A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 11977 - 11985
• a: 20.8676 ± 0.0016 Å
• b: 17.2194 ± 0.0014 Å
• c: 11.8599 ± 0.0009 Å
• α: 90°
• β: 98.246 ± 0.001°
• γ: 90°
• Cell volume: 4217.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0986
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No