Information card for entry 7212803

Structure parameters

• Formula: C26 H21 Cu N4 O5.5 S
• Calculated formula: C26 H18 Cu N4 O5.5 S
• Title of publication: Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks
• Authors of publication: Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4378
• a: 18.175 ± 0.003 Å
• b: 8.735 ± 0.0015 Å
• c: 30.413 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4828.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No