Information card for entry 7036279

Structure parameters

• Formula: C36 H48 N2 Ni
• Calculated formula: C36 H48 N2 Ni
• SMILES: [Ni]12([N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[CH2]=[CH]2c1ccccc1
• 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: 9.649 ± 0.002 Å
• b: 10.406 ± 0.002 Å
• c: 18.47 ± 0.004 Å
• α: 81.915 ± 0.003°
• β: 83.476 ± 0.002°
• γ: 65.495 ± 0.002°
• Cell volume: 1667.6 ± 0.6 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: 0.0579
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No