Information card for entry 1513897

Structure parameters

• Formula: C26 H28 Cu F2 N4 O2 S2
• Calculated formula: C26 H28 Cu F2 N4 O2 S2
• Title of publication: Crystal structures and antimicrobial activities of copper(II) complexes of fluorine-containing thioureido ligands
• Authors of publication: Liu, Huanhuan; Yang, Wen; Zhou, Weiqun; Xu, Yunlong; Xie, Juan; Li, Mengying
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 405
• Pages of publication: 387 - 394
• a: 8.346 ± 0.008 Å
• b: 8.575 ± 0.007 Å
• c: 10.271 ± 0.009 Å
• α: 100.237 ± 0.007°
• β: 107.28 ± 0.03°
• γ: 106.761 ± 0.013°
• Cell volume: 643.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No