Information card for entry 7222058

Structure parameters

• Formula: C16 H12 Cl Cu N2 O8
• Calculated formula: C16 H12 Cl Cu N2 O8
• 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: 7.872 ± 0.0004 Å
• b: 17.1458 ± 0.0005 Å
• c: 12.8986 ± 0.0005 Å
• α: 90°
• β: 102.085 ± 0.005°
• γ: 90°
• Cell volume: 1702.36 ± 0.12 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No