Information card for entry 7103340

Structure parameters

• Formula: C8 H8 Cd N12
• Calculated formula: C8 H8 Cd N12
• Title of publication: Controlled generation of acentric and homochiral coordination compounds from a versatile asymmetric ligand 4-(1H-1,2,4-triazol-3-yl)-4H-1,2,4-triazole.
• Authors of publication: Zhang, Rui-Bo; Zhang, Jian; Li, Zhao-Ji; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 35
• Pages of publication: 4159 - 4161
• a: 16.0031 ± 0.0011 Å
• b: 18.874 ± 0.002 Å
• c: 7.3205 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2211.1 ± 0.4 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• 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: 0.0198
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No