Information card for entry 7060065

Structure parameters

• Formula: C19 H12 Cu F3 N O3
• Calculated formula: C19 H12 Cu F3 N O3
• Title of publication: Solvent induced mononuclear and dinuclear mixed ligand Cu(ii) complex: structural diversity, supramolecular packing polymorphism and molecular docking studies
• Authors of publication: Mahesha,; Hema, M. K.; Karthik, C. S.; Pampa, K. J.; Mallu, P.; Lokanath, N. K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18048 - 18068
• a: 7.894 ± 0.003 Å
• b: 10.729 ± 0.004 Å
• c: 11.479 ± 0.004 Å
• α: 111.357 ± 0.009°
• β: 104.883 ± 0.011°
• γ: 94.191 ± 0.008°
• Cell volume: 859.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No