Information card for entry 7222057

Structure parameters

• Formula: C15 H14 Cu N2 O7 S
• Calculated formula: C15 H14 Cu N2 O7 S
• Title of publication: Dihydroisoquinoline Copper(II) Complexes: Crystal Structures, Cytotoxicity, and Their Action Mechanism
• Authors of publication: Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Xie, Xiao-Li; Liang, Hong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.3674 ± 0.0001 Å
• b: 18.0273 ± 0.0003 Å
• c: 23.508 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3122.2 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No