Information card for entry 4064211

Structure parameters

• Formula: C44 H66 Cl4 N4 Ni O2
• Calculated formula: C44 H66 Cl4 N4 Ni O2
• SMILES: [Ni]12(=C3N(C=CN3C(C)(C)C)c3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)Oc1c(N3C=2N(C=C3)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C.ClCCl.ClCCl
• 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: 12.3845 ± 0.0013 Å
• b: 17.0235 ± 0.0018 Å
• c: 21.782 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4592.2 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No