Information card for entry 7241398

Structure parameters

• Formula: C40 H39 Cu2 N7 O4 S2 Zn
• Calculated formula: C40 H39 Cu2 N7 O4 S2 Zn
• Title of publication: Recurrent π(arene)•••π(chelate ring) motifs in four trinuclear CuII2MII (M = Cd/Zn) complexes derived from an unsymmetrical N2O2 donor ligand: structural and theoretical investigations
• Authors of publication: Maity, Souvik; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 18.017 ± 0.003 Å
• b: 12.935 ± 0.002 Å
• c: 19.308 ± 0.003 Å
• α: 90°
• β: 117.267 ± 0.002°
• γ: 90°
• Cell volume: 3999.7 ± 1.1 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: 0.0935
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No