Information card for entry 8102792

Structure parameters

• Chemical name: bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]ether diisothiocyanatocopper(II), [Cu(C~14~H~22~N~4~O)(NCS)~2~]
• Formula: C16 H22 Cu N6 O S2
• Calculated formula: C16 H22 Cu N6 O S2
• Title of publication: Crystal structure of bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]ether-diisothiocyanatocopper(II), Cu(C14H22N4O)(NCS)2
• Authors of publication: Feng Gao; Xiang-Fei Zhang; Chang-Sheng Yao; Zai-Sheng Lu; De-Zhong Niu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 429
• a: 19.886 ± 0.004 Å
• b: 11.198 ± 0.002 Å
• c: 9.7465 ± 0.0019 Å
• α: 90°
• β: 108.57 ± 0.03°
• γ: 90°
• Cell volume: 2057.4 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No