Information card for entry 4350801

Structure parameters

• Formula: C27 H19 Cu F6 N3 O6 S4
• Calculated formula: C27 H19 Cu F6 N3 O6 S4
• Title of publication: Crystal structures and biological activities of a symmetrical quinoline thioether ligand and its transition metal complexes
• Authors of publication: Zou, Xun-Zhong; Zhang, Jing-An; Zhang, Li-Jie; Liu, Ya-Jie; Li, Ning; Li, Yu; Wei, Shi-Chao; Pan, Mei
• Journal of publication: Inorganic Chemistry Communications
• Year of publication: 2015
• Journal volume: 54
• Pages of publication: 21 - 24
• a: 14.681 ± 0.005 Å
• b: 12.152 ± 0.005 Å
• c: 18.122 ± 0.005 Å
• α: 90 ± 0.005°
• β: 113.895 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2955.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No