Information card for entry 4511514

Structure parameters

• Formula: C6 H6 Cl N9 Zn2
• Calculated formula: C6 H6 Cl N9 Zn2
• 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: 7.5093 ± 0.0011 Å
• b: 9.912 ± 0.0013 Å
• c: 17.457 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1299.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No