Information card for entry 4105001

Structure parameters

• Formula: C6 H12 Cu D14 N2 O14 Se2
• Calculated formula: C6 H12 Cu D14 N2 O14 Se2
• Title of publication: New Ferroelectrics Based on Divalent Metal Ion Alum
• Authors of publication: Wen Zhang; Li-Zhuang Chen; Ren-Gen Xiong; Takayoshi Nakamura; Songping D. Huang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12544 - 12545
• a: 7.124 ± 0.006 Å
• b: 12.634 ± 0.009 Å
• c: 12.164 ± 0.007 Å
• α: 90°
• β: 125.16 ± 0.04°
• γ: 90°
• Cell volume: 895.1 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1065
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No