Information card for entry 7036278

Structure parameters

• Formula: C30 H44 N2 Ni
• Calculated formula: C30 H44 N2 Ni
• SMILES: C1(C(C)=[N]([Ni]2([N]=1c1c(cccc1C(C)C)C(C)C)[CH2]=[CH2]2)c1c(cccc1C(C)C)C(C)C)C
• Title of publication: α-Diimine nickel complexes of ethylene and related alkenes.
• Authors of publication: Zhao, Yanxia; Wang, Zeyi; Jing, Xiaojing; Dong, Qingsong; Gong, Shida; Li, Qian-Shu; Zhang, Juan; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 16228 - 16232
• a: 16.404 ± 0.003 Å
• b: 9.3422 ± 0.0018 Å
• c: 19.045 ± 0.004 Å
• α: 90°
• β: 93.067 ± 0.002°
• γ: 90°
• Cell volume: 2914.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No