Information card for entry 4504270

Structure parameters

• Formula: C54 H58 Br2 N18 O3 Zn2
• Calculated formula: C54 H58 Br2 N18 O3 Zn2
• Title of publication: Deuteration Effect of Ferroelectricity and Permittivity on Homochiral Zinc Coordination Compound
• Authors of publication: Ye, Qiong; Song, Yu-Mei; Fu, Da-Wei; Wang, Guo-Xi; Xiong, Ren-Gen; Chan, Philip Wai Hong; Huang, Songping D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1568
• a: 10.494 ± 0.0011 Å
• b: 10.726 ± 0.0012 Å
• c: 13.95 ± 0.0015 Å
• α: 82.294 ± 0.002°
• β: 69.289 ± 0.002°
• γ: 72.665 ± 0.003°
• Cell volume: 1401.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No