Information card for entry 4064212

Structure parameters

• Formula: C46 H54 N4 Ni O2
• Calculated formula: C46 H54 N4 Ni O2
• SMILES: c12c(cc(cc1N1C=CN(C1=[Ni]1(O2)Oc2c(cc(cc2N2C=CN(C=12)c1ccccc1)C(C)(C)C)C(C)(C)C)c1ccccc1)C(C)(C)C)C(C)(C)C
• 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: 19.108 ± 0.004 Å
• b: 17.873 ± 0.004 Å
• c: 12.576 ± 0.003 Å
• α: 90°
• β: 108.4 ± 0.03°
• γ: 90°
• Cell volume: 4075.3 ± 1.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No