Information card for entry 2242239

Structure parameters

• Common name: CuTMPEN
• Chemical name: {<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine-κ^6^<i>N</i>}copper(II) bis(tetrafluoridoborate)
• Formula: C30 H36 B2 Cu F8 N6
• Calculated formula: C30 H36 B2 Cu F8 N6
• Title of publication: Crystal structure of [Cu(tmpen)](BF~4~)~2~ {tmpen is <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}
• Authors of publication: Chen, Lin; Guo, Yakun; Ren, Gan; Sang, Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 640 - 643
• a: 18.67 ± 0.002 Å
• b: 12.8309 ± 0.0015 Å
• c: 14.0146 ± 0.0016 Å
• α: 90°
• β: 107.193 ± 0.002°
• γ: 90°
• Cell volume: 3207.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes