Information card for entry 7036280

Structure parameters

• Formula: C37 H50 N2 Ni
• Calculated formula: C37 H50 N2 Ni
• SMILES: [Ni]12([N](=C(C(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[CH](c1ccccc1)=[CH]2C
• 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: 9.7243 ± 0.0018 Å
• b: 10.4129 ± 0.0019 Å
• c: 18.679 ± 0.003 Å
• α: 83.031 ± 0.003°
• β: 87.778 ± 0.003°
• γ: 63.827 ± 0.003°
• Cell volume: 1684.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No