Information card for entry 2021669

Structure parameters

• Chemical name: Bis{6-methyl-<i>N</i>'-[1-(pyrazin-2-yl-κ<i>N</i>^1^)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>}nickel(II)
• Formula: C26 H24 N10 Ni O2
• Calculated formula: C26 H24 N10 Ni O2
• SMILES: [Ni]1234(OC(=N[N]2=C(c2[n]1ccnc2)C)c1ccc(nc1)C)OC(=N[N]4=C(c1[n]3ccnc1)C)c1ccc(nc1)C
• Title of publication: Synthesis, structure and bioactivity of Ni^2+^ and Cu^2+^ acylhydrazone complexes
• Authors of publication: Xie, Long-Yan; Zhang, Yu; Xu, Hao; Gong, Chang-Da; Du, Xiu-Li; Li, Yang; Wang, Meng; Qin, Jie
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• a: 11.9385 ± 0.0006 Å
• b: 9.7023 ± 0.0004 Å
• c: 22.5975 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2617.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes