Information card for entry 4504282

Structure parameters

• Formula: C22 H19 N17 O1.5 S3 Zn1.5
• Calculated formula: C22 H15 N17 O1.5 S3 Zn1.5
• Title of publication: Syntheses, Structures, and Characterization of a Series of Novel Zinc(II) and Cadmium(II) Compounds Based on 2,6-Di-(1,2,4-triazole-4-yl)pyridine
• Authors of publication: Liu, Yuan-Yuan; Huang, Yong-Quan; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 1483
• a: 9.1032 ± 0.0011 Å
• b: 10.8342 ± 0.0013 Å
• c: 17.829 ± 0.003 Å
• α: 103.492 ± 0.002°
• β: 99.696 ± 0.002°
• γ: 104.718 ± 0.001°
• Cell volume: 1604.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No