Information card for entry 2020288

Structure parameters

• Chemical name: Bis(2-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyrrol-1-ido-\ κ^2^<i>N</i>,<i>N</i>')nickel(II)
• Formula: C30 H34 N4 Ni
• Calculated formula: C30 H34 N4 Ni
• SMILES: c1(c(cc(cc1C)C)C)[N]1=C(c2cccn2[Ni]21n1cccc1C(=[N]2c1c(cc(cc1C)C)C)C)C
• Title of publication: Bis(2-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyrrol-1-ido-κ^2^<i>N</i>,<i>N</i>')nickel(II): a supramolecular structure formed by C—H···π(arene) hydrogen bonds
• Authors of publication: Su, Bi-Yun; Li, Xiao-Teng; Wang, Jia-Xiang; Wang, Xu-Dong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• a: 7.2045 ± 0.001 Å
• b: 15.049 ± 0.002 Å
• c: 12.1405 ± 0.0016 Å
• α: 90°
• β: 91.65 ± 0.002°
• γ: 90°
• Cell volume: 1315.7 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes