Information card for entry 7059522

Structure parameters

• Formula: C29 H35 Cl Cu F N6 O7.5
• Calculated formula: C31 H44 Cl Cu F N6 O8
• SMILES: [Cu]12([O]=C3C(C(=O)O1)=CN(c1c3cc(F)c(n1)N1CCN(CC1)COC)CC)([n]1c(c3[n]2cccc3)cccc1)Cl.OC.OC.CO.OC
• Title of publication: Copper(ii) complexes containing enoxacin and heterocyclic ligands: synthesis, crystal structures and their biological perspectives
• Authors of publication: Kumar, Manish; Kumar, Gyanendra; Masram, Dhanraj T.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 8595 - 8613
• a: 10.6331 ± 0.0005 Å
• b: 13.0935 ± 0.0011 Å
• c: 14.6411 ± 0.0014 Å
• α: 66.598 ± 0.009°
• β: 74.169 ± 0.007°
• γ: 72.852 ± 0.007°
• Cell volume: 1759.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2464
• Weighted residual factors for all reflections included in the refinement: 0.2662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No