Information card for entry 4507326

Structure parameters

• Formula: C14 H10 I3 N S2
• Calculated formula: C14 H10 I3 N S2
• Title of publication: Air-Stable Cyclohexasulfur as Cocrystal
• Authors of publication: Sugimoto, Kunihisa; Uemachi, Hiroshi; Maekawa, Masahiko; Fujiwara, Akihiko
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 433
• a: 9.58 ± 0.0003 Å
• b: 18.999 ± 0.0006 Å
• c: 19.0798 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3472.72 ± 0.19 ų
• Cell temperature: 20 ± 1 K
• Ambient diffraction temperature: 20 ± 1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.35685 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No