Information card for entry 4106596

Structure parameters

• Formula: C74 H77 B F24 N Ni P2
• Calculated formula: C74 H77 B F24 N Ni P2
• SMILES: [Ni]1([P](C(C)(C)C)(CC[P]1(C(C)(C)C)C(C)(C)C)C(C)(C)C)=Nc1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.FC(F)(F)c1cc(cc([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1)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: 14.2589 ± 0.0012 Å
• b: 13.0889 ± 0.0011 Å
• c: 39.706 ± 0.003 Å
• α: 90°
• β: 90.907 ± 0.002°
• γ: 90°
• Cell volume: 7409.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1241
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No