Information card for entry 8106891

Structure parameters

• Formula: C9 H10 N4 S4
• Calculated formula: C9 H10 N4 S4
• Title of publication: Crystal structure of 2,2′-[(1E)-prop-1-ene-1,2-diyldisulfanediyl]bis(5-methyl-2,5-dihydro-1,3,4-thiadiazole, C9H10N4S4
• Authors of publication: Du, Xi-Gang; Wang, Chun-Wei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 411 - 412
• a: 5.668 ± 0.002 Å
• b: 23.957 ± 0.009 Å
• c: 10.16 ± 0.004 Å
• α: 90°
• β: 100.215 ± 0.004°
• γ: 90°
• Cell volume: 1357.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No