Information card for entry 7060250

Structure parameters

• Formula: C16 H13 Cu F6 N2 O3 P
• Calculated formula: C16 H13 Cu F6 N2 O3 P
• Title of publication: Synthesis, X-ray structure, antiproliferative activity, interaction with HSA and docking studies of three novel mono and binuclear copper complexes containing the maltol ligand
• Authors of publication: Zahmati Eraj, Malihe; Eriksson, Lars; Alibolandi, Mona; Babaei, Maryam; Saljooghi, Amir Sh.; Ramezani, Mohammad
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20101 - 20114
• a: 8.0772 ± 0.0002 Å
• b: 14.817 ± 0.0003 Å
• c: 15.2106 ± 0.0003 Å
• α: 90°
• β: 101.928 ± 0.002°
• γ: 90°
• Cell volume: 1781.1 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No