Information card for entry 7036281

Structure parameters

• Formula: C42 H52 N2 Ni
• Calculated formula: C42 H52 N2 Ni
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1[Ni]2([N](=C(C=1C)C)c1c(cccc1C(C)C)C(C)C)[CH](c1ccccc1)=[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: 19.024 ± 0.011 Å
• b: 41.19 ± 0.02 Å
• c: 9.557 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7489 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No