Information card for entry 7036282

Structure parameters

• Formula: C44 H54 N2 Ni
• Calculated formula: C44 H54 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)[CH](c1ccccc1)=[CH]2/C=C/c1ccccc1
• 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: 19.995 ± 0.004 Å
• b: 9.4506 ± 0.0017 Å
• c: 20.667 ± 0.004 Å
• α: 90°
• β: 92.609 ± 0.003°
• γ: 90°
• Cell volume: 3901.3 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No