Information card for entry 1512972

Structure parameters

• Formula: C19 H23 Cl Cu N2 O7
• Calculated formula: C19 H23 Cl Cu N2 O7
• SMILES: [Cu]12(Oc3ccccc3C(=[N]1CC[N]2(C)C)C)([O]=C(O)c1ccccc1)OCl(=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: 8.8242 ± 0.0017 Å
• b: 10.931 ± 0.002 Å
• c: 12.043 ± 0.002 Å
• α: 66.977 ± 0.002°
• β: 83.821 ± 0.002°
• γ: 77.396 ± 0.002°
• Cell volume: 1043 ± 0.3 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: 0.0534
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No