Information card for entry 4506026

Structure parameters

• Formula: C20 H26 Cu2 N2 O6
• Calculated formula: C20 H26 Cu2 N2 O6
• SMILES: c1ccc2c(c1)O[Cu]13[NH](C2)C[C@@H]([O]1[Cu]12[NH](Cc4ccccc4O1)C[C@H]([O]32)CO)CO
• Title of publication: Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups
• Authors of publication: Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 2089
• a: 10.1612 ± 0.0002 Å
• b: 7.4778 ± 0.0001 Å
• c: 13.2585 ± 0.0003 Å
• α: 90°
• β: 90.426 ± 0.002°
• γ: 90°
• Cell volume: 1007.4 ± 0.03 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No