Information card for entry 4121686

Structure parameters

• Formula: C60 H81 Cl2 F14 N8 Ni2 O P2
• Calculated formula: C60 H81 Cl2 F14 N8 Ni2 O P2
• Title of publication: Organometallic Nickel(III) Complexes Relevant to Cross-Coupling and Carbon-Heteroatom Bond Formation Reactions.
• Authors of publication: Zheng, Bo; Tang, Fengzhi; Luo, Jia; Schultz, Jason W.; Rath, Nigam P.; Mirica, Liviu M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 17
• Pages of publication: 6499 - 6504
• a: 11.7748 ± 0.0019 Å
• b: 15.072 ± 0.003 Å
• c: 19.717 ± 0.005 Å
• α: 75.795 ± 0.016°
• β: 77.796 ± 0.011°
• γ: 89.143 ± 0.011°
• Cell volume: 3313 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3185
• Residual factor for significantly intense reflections: 0.1014
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.3069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No