Information card for entry 8103277

Structure parameters

• Common name: C42H58N4Ni
• Formula: C42 H58 N4 Ni
• Calculated formula: C42 H58 N4 Ni
• SMILES: CC(C)(C)c1ccc2C=[N](c3c(C(C)C)cccc3C(C)C)[Ni]3(n12)[N](=Cc1ccc(C(C)(C)C)n31)c1c(C(C)C)cccc1C(C)C
• Title of publication: Crystal structure of bis[(N-2,6-di-i-propylphenyl)-5-t-butylpyrrol-2-methylenimine-k2N,N']nickel(II), Ni(C21H29N2)2
• Authors of publication: Yong Xiao; Jianjun Yi; Baichun Zhu; Pengjuan Zhao; Haijun Hao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 1
• Pages of publication: 37
• a: 10.4521 ± 0.0006 Å
• b: 19.9786 ± 0.0011 Å
• c: 19.3675 ± 0.001 Å
• α: 90°
• β: 102.325 ± 0.001°
• γ: 90°
• Cell volume: 3951.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No