Information card for entry 4107328

Structure parameters

• Common name: [RNiCO][BF4]2 + 4DCM
• Formula: C65 H96 B2 Cl8 F8 N4 Ni O P4
• Calculated formula: C65 H96 B2 Cl8 F8 N4 Ni O P4
• Title of publication: The Role of the Second Coordination Sphere of [Ni(PCy2NBz2)2](BF4)2 in Reversible Carbon Monoxide Binding
• Authors of publication: Aaron D. Wilson; Kendra Fraze; Brendan Twamley; Susie M. Miller; Daniel L. DuBois; M. Rakowski DuBois
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1061 - 1068
• a: 12.5244 ± 0.0006 Å
• b: 18.3649 ± 0.0008 Å
• c: 32.6093 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7500.4 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 9
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No