Information card for entry 4106597

Structure parameters

• Formula: C60 H68 B F24 N Ni P2
• Calculated formula: C60 H68 B F24 N Ni P2
• SMILES: [Ni]1([P](CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)NC12CC3CC(C1)CC(C2)C3.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(C(F)(F)F)cc(c1)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis and Characterization of Three-Coordinate Ni(III)-Imide Complexes
• Authors of publication: Vlad M. Iluc; Alexander J. M. Miller; John S. Anderson; Marisa J. Monreal; Mark P. Mehn; Gregory L. Hillhouse
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 13055 - 13063
• a: 16.616 ± 0.0019 Å
• b: 19.441 ± 0.002 Å
• c: 20.68 ± 0.002 Å
• α: 95.168 ± 0.002°
• β: 100.073 ± 0.002°
• γ: 103.594 ± 0.002°
• Cell volume: 6332.7 ± 1.2 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1379
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No