Information card for entry 8100787

Structure parameters

• Formula: C6 H12 S6
• Calculated formula: C6 S6
• Title of publication: Crystal structure of dithioacetic acid trimers, (CH~3~C(SH)S)~3~
• Authors of publication: Mahjoub, Ahmed; Zantour, Hédi; Masson, Serge
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 597 - 598
• a: 9.954 ± 0.003 Å
• b: 12.617 ± 0.003 Å
• c: 9.716 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1220.3 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0968
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No