Information card for entry 1517775

Structure parameters

• Formula: C13 H11 Cu N O4
• Calculated formula: C13 H11 Cu N O4
• SMILES: c12C=[N]3[Cu](Oc1ccc1c2cccc1)(OC(=O)C3)[OH2]
• Title of publication: Synthesis, structures and urease inhibition studies of dimeric copper(II) complexes of Schiff bases derived from glycine
• Authors of publication: Yi Gou; Miao Yu; Yuguang Li; Yuhuai Peng; Wu Chen
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 404
• Pages of publication: 224 - 229
• a: 10.2957 ± 0.0011 Å
• b: 7.0518 ± 0.0014 Å
• c: 15.9392 ± 0.0019 Å
• α: 90°
• β: 96.954 ± 0.003°
• γ: 90°
• Cell volume: 1148.7 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No