Information card for entry 7029165

Structure parameters

• Formula: C26 H36 Br2 Cu2 N2 O8.25 S
• Calculated formula: C26 H36 Br2 Cu2 N2 O8.25 S
• 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: 10.1311 ± 0.0004 Å
• b: 12.0085 ± 0.0006 Å
• c: 26.9697 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3281.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No