Information card for entry 7103172

Structure parameters

• Common name: Cd(C4N6H3)2
• Chemical name: Cd(C4N6H3)2
• Formula: C8 H6 Cd N12 O0
• Calculated formula: C8 H6 Cd N12
• Title of publication: Nonlinear optical and ferroelectric properties of a 3-D Cd(II) triazolate complex with a novel (6(3))2(6(10) x 8(5)) topology.
• Authors of publication: Zhou, Wei-Wei; Chen, Jiu-Tong; Xu, Gang; Wang, Ming-Sheng; Zou, Jian-Ping; Long, Xi-Fa; Wang, Guo-Jian; Guo, Guo-Cong; Huang, Jin-Shun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 24
• Pages of publication: 2762 - 2764
• a: 16.024 ± 0.005 Å
• b: 18.856 ± 0.006 Å
• c: 7.319 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2211.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0147
• Residual factor for significantly intense reflections: 0.0138
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No