Information card for entry 7104274

Structure parameters

• Formula: C28 H24 Cu2 N8 O8
• Calculated formula: C28 H24 Cu2 N8 O8
• Title of publication: Experimental and theoretical demonstration of ferroelectric anisotropy in a one-dimensional copper(II)-based coordination polymer.
• Authors of publication: Zhao, Hai-Xia; Zhuang, Gui-Lin; Wu, Shu-Ting; Long, La-Sheng; Guo, Hai-Yan; Ye, Zuo-Guang; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 1644 - 1646
• a: 16.578 ± 0.003 Å
• b: 15.421 ± 0.003 Å
• c: 11.988 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3064.9 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No