Information card for entry 7060247

Structure parameters

• Formula: C38 H31 Cl Cu2 N6 O9
• Calculated formula: C38 H31 Cl Cu2 N6 O9
• Title of publication: Cu(ii)-induced twisting of the biphenyl core: exploring the effect of structure and coordination environment of biphenyl-based chiral copper(ii) complexes on interaction with calf-thymus DNA
• Authors of publication: Ghosh, Soumen; Khan, Mehebub Ali; Bhattacharyya, Arghyadeep; Alam, Md. Akhtarul; Zangrando, Ennio; Guchhait, Nikhil
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20275 - 20284
• a: 26.29 ± 0.04 Å
• b: 9.937 ± 0.015 Å
• c: 17.57 ± 0.03 Å
• α: 90°
• β: 121.9 ± 0.02°
• γ: 90°
• Cell volume: 3897 ± 11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No