Information card for entry 7103341

Structure parameters

• Formula: C4 H6 Br2 Cd N6 O
• Calculated formula: C4.06 H6 Br2 Cd N5.94 O
• 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: 7.512 ± 0.003 Å
• b: 19.532 ± 0.008 Å
• c: 7.143 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1048.1 ± 0.7 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 24
• Hermann-Mauguin space group symbol: I 21 21 21
• Hall space group symbol: I 2b 2c
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No