Information card for entry 1517774

Structure parameters

• Formula: C30 H32 Cu2 N4 O10
• Calculated formula: C30 H32 Cu2 N4 O10
• SMILES: [Cu]123([N](=Cc4c([O]1[Cu]15([O]2c2c(ccc(O)c2)C=[N]5CC(=O)O1)[n]1ccccc1)cc(O)cc4)CC(=O)O3)[n]1ccccc1.OC.OC
• 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: 8.2728 ± 0.0009 Å
• b: 18.482 ± 0.002 Å
• c: 11.3252 ± 0.001 Å
• α: 90°
• β: 115.042 ± 0.006°
• γ: 90°
• Cell volume: 1568.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No