Information card for entry 4511513

Structure parameters

• Formula: C6 H8 Cd N10 S2
• Calculated formula: C6 H8 Cd N10 S2
• Title of publication: Construction of Cd/Zn(II)-1,2,4-Triazolate Coordination Complexes via Changing Substituents and Anions
• Authors of publication: Zhai, Quan-Guo; Wu, Xiao-Yuan; Chen, Shu-Mei; Lu, Can-Zhong; Yang, Wen-Bin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2126
• a: 9.6258 ± 0.0011 Å
• b: 5.7297 ± 0.0005 Å
• c: 12.1226 ± 0.0013 Å
• α: 90°
• β: 100.094 ± 0.006°
• γ: 90°
• Cell volume: 658.25 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No