Information card for entry 4087247

Structure parameters

• Formula: C32 H39 N4 Ni P
• Calculated formula: C32 H39 N4 Ni P
• Title of publication: Stoichiometric and Catalytic Reactivity of Ni(6-Mes)(PPh3)2
• Authors of publication: Sabater, Sara; Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.
• Journal of publication: Organometallics
• Year of publication: 2017
• a: 8.39335 ± 0.00009 Å
• b: 27.1073 ± 0.0002 Å
• c: 13.64061 ± 0.00015 Å
• α: 90°
• β: 106.61 ± 0.0012°
• γ: 90°
• Cell volume: 2974.02 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0375
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No