Information card for entry 1513898

Structure parameters

• Formula: C34 H30 Cu2 F4 N2 O10
• Calculated formula: C34 H30 Cu2 F4 N2 O10
• SMILES: [Cu]1234([Cu]([O]=C(O3)c3c(F)cccc3)(OC(=[O]2)c2c(F)cccc2)([O]=C(O4)c2c(F)cccc2)(OC(=[O]1)c1c(F)cccc1)[O]=CN(C)C)[O]=CN(C)C
• 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: 10.575 ± 0.003 Å
• b: 10.434 ± 0.003 Å
• c: 16.122 ± 0.004 Å
• α: 90°
• β: 93.338 ± 0.006°
• γ: 90°
• Cell volume: 1775.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0995
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No