Information card for entry 4064210

Structure parameters

• Formula: C47 H66 N4 Ni O2
• Calculated formula: C47 H66 N4 Ni O2
• Title of publication: Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Nickel Complexes
• Authors of publication: Kong, Yong; Cheng, Man; Ren, Hongping; Xu, Shansheng; Song, Haibin; Yang, Min; Liu, Binyuan; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1677
• a: 13.7915 ± 0.0014 Å
• b: 17.3519 ± 0.0015 Å
• c: 37.169 ± 0.004 Å
• α: 90°
• β: 95.731 ± 0.003°
• γ: 90°
• Cell volume: 8850.4 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No