Information card for entry 4346936

Structure parameters

• Formula: C36 H88 Ni4 P4 S
• Calculated formula: C36 H88 Ni4 P4 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: 8.9251 ± 0.0002 Å
• b: 21.9202 ± 0.0005 Å
• c: 12.2706 ± 0.0003 Å
• α: 90°
• β: 93.815 ± 0.001°
• γ: 90°
• Cell volume: 2395.3 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No