Information card for entry 7029161

Structure parameters

• Formula: C22 H30 Cu2 N2 O10
• Calculated formula: C22 H30 Cu2 N2 O10
• SMILES: [Cu]123([O](c4ccc(cc4C[NH]1[C@H](C(=O)O3)C)OC)[Cu]13([O]2c2ccc(cc2C[NH]1[C@H](C(=O)O3)C)OC)[OH2])[OH2]
• 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: 13.8398 ± 0.0015 Å
• b: 7.2308 ± 0.0008 Å
• c: 13.9096 ± 0.0016 Å
• α: 90°
• β: 118.406 ± 0.003°
• γ: 90°
• Cell volume: 1224.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No