Information card for entry 7029164

Structure parameters

• Formula: C20 H28 Br2 Cu2 N2 O10
• Calculated formula: C20 H28 Br2 Cu2 N2 O10
• SMILES: c12ccc(cc1C[NH]1CC(=O)O[Cu]31[O]2[Cu]12[NH](Cc4c(ccc(c4)Br)[O]31)CC(=O)O2)Br.CO.O.CO.O
• Title of publication: Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.
• Authors of publication: Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3545 - 3556
• a: 13.093 ± 0.003 Å
• b: 6.9457 ± 0.0015 Å
• c: 14.027 ± 0.003 Å
• α: 90°
• β: 99.983 ± 0.004°
• γ: 90°
• Cell volume: 1256.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0794
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No