Information card for entry 2003352

Structure parameters

• Formula: C8 H16 I2 S4
• Calculated formula: C8 H12 I2 S4
• Title of publication: Preparation and Structural Characterization of the Charge-Transfer Complex (12[ane]S~4~.I~2~)~{∞~} (12[ane]S~4~ = 1,4,7,10-Tetrathiacyclododecane)
• Authors of publication: Baker, P. K.; Harris, S. D.; Durrant, M. C.; Hughes, D. L.; Richards, R. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 697 - 700
• a: 9.475 ± 0.001 Å
• b: 8.57 ± 0.001 Å
• c: 9.194 ± 0.001 Å
• α: 90°
• β: 97.43 ± 0.009°
• γ: 90°
• Cell volume: 740.29 ± 0.14 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 0.66
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No