Information card for entry 2019309

Structure parameters

• Chemical name: Poly[(μ~4~-1-phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiolato)copper(I)]
• Formula: C7 H5 Cu N4 S
• Calculated formula: C7 H5 Cu N4 S
• Title of publication: A two-dimensional Cu^I^ framework incorporating the 1-phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiol ligand
• Authors of publication: Zhou, Fang-Xia; Yue, Cheng-Yang; Zhang, Hui-Ping; Lei, Xiao-Wu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1478 - 1481
• a: 17.344 ± 0.015 Å
• b: 6.509 ± 0.005 Å
• c: 7.522 ± 0.006 Å
• α: 90°
• β: 90.79 ± 0.017°
• γ: 90°
• Cell volume: 849.1 ± 1.2 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: 0.0706
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No