Information card for entry 2242140

Structure parameters

• Common name: (bztmpen)Ni
• Chemical name: (Acetonitrile-κ<i>N</i>){<i>N</i>-benzyl-<i>N</i>,<i>N</i>',<i>N</i>'-Tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}nickel(II) bis(tetrafluoridoborate)
• Formula: C32 H38 B2 F8 N6 Ni
• Calculated formula: C32 H38 B2 F8 N6 Ni
• Title of publication: Crystal structure and electrochemical properties of [Ni(bztmpen)(CH~3~CN)](BF~4~)~2~ {bztmpen is <i>N</i>-benzyl-<i>N</i>,<i>N</i>',<i>N</i>'-tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}
• Authors of publication: Chen, Lin; Ren, Gan; Guo, Yakun; Sang, Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 825 - 828
• a: 11.23 ± 0.003 Å
• b: 17.204 ± 0.005 Å
• c: 18.11 ± 0.006 Å
• α: 90°
• β: 103.248 ± 0.007°
• γ: 90°
• Cell volume: 3405.8 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes