Information card for entry 8106914

Structure parameters

• Formula: C4 H6 Hg N8 S2
• Calculated formula: C4 H6 Hg N8 S2
• Title of publication: Crystal structure of bis(1-methyl-1H-tetrazole-5-thiolato)mercury(II)
• 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: 2
• Pages of publication: 479 - 480
• a: 11.8083 ± 0.001 Å
• b: 5.6681 ± 0.0005 Å
• c: 7.689 ± 0.0007 Å
• α: 90°
• β: 95.299 ± 0.001°
• γ: 90°
• Cell volume: 512.43 ± 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: 0.0226
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No