Information card for entry 1512973

Structure parameters

• Formula: C31 H39 Cl Cu2 N4 O8
• Calculated formula: C31 H39 Cl Cu2 N4 O8
• SMILES: [Cu]12(Oc3ccccc3C(=[N]1CC[N]2(C)C)C)[O]=C(O[Cu]12Oc3ccccc3C(=[N]1CC[N]2(C)C)C)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis and structure of mono-, di- and tri-nuclear copper(II) benzoate complexes with a tridentate N2O donor Schiff base ligand
• Authors of publication: Pallab Bhowmik; Shouvik Chattopadhyay; Ashutosh Ghosh
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 396
• Pages of publication: 66 - 71
• a: 13.452 ± 0.002 Å
• b: 17.648 ± 0.003 Å
• c: 7.421 ± 0.0017 Å
• α: 90°
• β: 108.58 ± 0.005°
• γ: 90°
• Cell volume: 1669.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.2918
• Weighted residual factors for all reflections included in the refinement: 0.3028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No