Information card for entry 7220665

Structure parameters

• Formula: C27 H38 Cl2 Cu2 N2 O14
• Calculated formula: C27 H36 Cl2 Cu2 N2 O14
• Title of publication: Solvent dependent ligand transformation in a dinuclear copper (II) complex of a compartmental Mannich-base ligand: synthesis, characterization, bio-relevant catalytic promiscuity and magnetic study
• Authors of publication: Das, Debasis; Majumder, Ishani; Chakraborty, Prateeti; Das, Sudhanshu; Kara, Hulya; Chattopadhyay, Shymal Kumar; Zangrando, Ennio
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 16.6577 ± 0.0014 Å
• b: 14.6519 ± 0.0014 Å
• c: 16.6876 ± 0.0014 Å
• α: 90°
• β: 118.176 ± 0.002°
• γ: 90°
• Cell volume: 3590.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2285
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No