Information card for entry 4071165

Structure parameters

• Formula: C30 H44 Br2 N4 Ni
• Calculated formula: C30 H44 Br2 N4 Ni
• Title of publication: Anagostic Interactions and Catalytic Activities of Sterically Bulky Benzannulated N-Heterocyclic Carbene Complexes of Nickel(II)
• Authors of publication: Huynh, Han Vinh; Wong, Ling Rong; Ng, Pearly Shuyi
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2231
• a: 11.2799 ± 0.0007 Å
• b: 15.3817 ± 0.001 Å
• c: 18.4142 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3194.9 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No