Information card for entry 4101269

Structure parameters

• Formula: C13 H14 Cd Cl N5 O2
• Calculated formula: C13 H14 Cd Cl N5 O2
• Title of publication: Ferroelectric metal-organic framework with a high dielectric constant.
• Authors of publication: Ye, Qiong; Song, Yu-Mei; Wang, Guo-Xi; Chen, Kai; Fu, Da-Wei; Chan, Philip Wai Hong; Zhu, Jin-Song; Huang, Songping D; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 20
• Pages of publication: 6554 - 6555
• a: 9.086 ± 0.0017 Å
• b: 24.088 ± 0.004 Å
• c: 7.7691 ± 0.0014 Å
• α: 90°
• β: 115.028 ± 0.002°
• γ: 90°
• Cell volume: 1540.7 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No