Information card for entry 4087246

Structure parameters

• Formula: C46 H43 F6 N2 Ni P
• Calculated formula: C46 H43 F6 N2 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: 11.42881 ± 0.00006 Å
• b: 16.9674 ± 0.00009 Å
• c: 20.23065 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3923.07 ± 0.04 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.1 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No