Information card for entry 8107007

Structure parameters

• Formula: C2 H3 Cu N4 S
• Calculated formula: C2 H3 Cu N4 S
• Title of publication: Crystal structure of poly[(μ4-1-methyl-1H-tetrazole-5-thiolato-κ3 S:S:N:N′)copper(I)], C2H3CuN4S
• Authors of publication: Liu, Gang; Zhang, Shuang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 791 - 792
• a: 8.6567 ± 0.0009 Å
• b: 4.9722 ± 0.0005 Å
• c: 12.0437 ± 0.0011 Å
• α: 90°
• β: 112.676 ± 0.006°
• γ: 90°
• Cell volume: 478.32 ± 0.08 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: 0.0254
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No