Information card for entry 7029162

Structure parameters

• Formula: C20 H24 Cl2 Cu2 N2 O8
• Calculated formula: C20 H24 Cl2 Cu2 N2 O8
• SMILES: [Cu]123[O](c4ccc(cc4C[NH]2[C@H](C(=O)O1)C)Cl)[Cu]12([O]3c3ccc(cc3C[NH]1[C@H](C(=O)O2)C)Cl)[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: 13.1237 ± 0.0009 Å
• b: 7.2533 ± 0.0005 Å
• c: 13.6424 ± 0.001 Å
• α: 90°
• β: 117.042 ± 0.001°
• γ: 90°
• Cell volume: 1156.65 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0774
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No