Information card for entry 2006263

Structure parameters

• Formula: C10 H20 I8 S4
• Calculated formula: C10 H20 I8 S4
• SMILES: C1CSCCSCCCSCCSC1.II.II.II.II
• Title of publication: 1,4,8,11-Tetrakis(diiodine)-1,4,8,11-tetrathiacyclotetradecane
• Authors of publication: Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 886 - 888
• a: 8.3549 ± 0.0011 Å
• b: 9.1092 ± 0.0014 Å
• c: 10.29 ± 0.002 Å
• α: 64.196 ± 0.016°
• β: 77.525 ± 0.014°
• γ: 82.951 ± 0.011°
• Cell volume: 688 ± 0.2 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.0631
• Goodness-of-fit parameter for all reflections: 1.156
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No