Information card for entry 7029163

Structure parameters

• Formula: C20 H24 Br2 Cu2 N2 O8
• Calculated formula: C20 H24 Br2 Cu2 N2 O8
• SMILES: [Cu]123([O](c4ccc(Br)cc4C[NH]2[C@H](C(=O)O1)C)[Cu]12[O]3c3ccc(Br)cc3C[NH]1[C@H](C(=O)O2)C)[OH2].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: 13.1442 ± 0.0016 Å
• b: 7.2517 ± 0.0009 Å
• c: 13.7162 ± 0.0017 Å
• α: 90°
• β: 117.64 ± 0.004°
• γ: 90°
• Cell volume: 1158.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No