Information card for entry 7205112

Structure parameters

• Formula: C22 H20 Cu N2 O4
• Calculated formula: C22 H20 Cu N2 O4
• Title of publication: Synthesis, crystal structures and properties of four topological structures based on 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate acid and bipyridine ligands
• Authors of publication: He, Haiyan; Dou, Jianmin; Li, Dacheng; Ma, Huiqing; Sun, Daofeng
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1509
• a: 14.2254 ± 0.0008 Å
• b: 10.6516 ± 0.0006 Å
• c: 13.6134 ± 0.0008 Å
• α: 90°
• β: 110.37 ± 0.001°
• γ: 90°
• Cell volume: 1933.75 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No