Information card for entry 2019130

Structure parameters

• Chemical name: (<i>N</i>,<i>N</i>-Diethyldithiocarbamato)[tris(3,5-dimethylpyrazol-1-yl)hydroborato]copper(II)
• Formula: C20 H32 B Cu N7 S2
• Calculated formula: C20 H32 B Cu N7 S2
• Title of publication: (<i>N</i>,<i>N</i>-Diethyldithiocarbamato)[tris(3,5-dimethylpyrazol-1-yl)hydroborato]copper(II): a new copper(II) dithiocarbamate compound with the classic Tp^Me~2~^ scorpionate
• Authors of publication: Cañada, Louise Marie C.; Yap, Glenn P. A.; Lim, Patrick John Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 977 - 980
• a: 10.9499 ± 0.0009 Å
• b: 13.4234 ± 0.0012 Å
• c: 16.8469 ± 0.0015 Å
• α: 90°
• β: 94.593 ± 0.002°
• γ: 90°
• Cell volume: 2468.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes