Information card for entry 4511509

Structure parameters

• Formula: C4 H6 Cl N3 Zn
• Calculated formula: C4 H6 Cl N3 Zn
• 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: 7.6304 ± 0.0006 Å
• b: 9.2864 ± 0.0008 Å
• c: 9.846 ± 0.0008 Å
• α: 90°
• β: 100.126 ± 0.003°
• γ: 90°
• Cell volume: 686.81 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No