Information card for entry 4346938

Structure parameters

• Formula: C40 H73 Ni3 P3 S
• Calculated formula: C39.998 H72.996 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: 45.711 ± 0.004 Å
• b: 8.6322 ± 0.0006 Å
• c: 25.208 ± 0.002 Å
• α: 90°
• β: 119.304 ± 0.002°
• γ: 90°
• Cell volume: 8673.9 ± 1.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.0822
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No