Information card for entry 4117085

Structure parameters

• Formula: C6 Al2 Cl10 N2 S4
• Calculated formula: C6 Al2 Cl10 N2 S4
• Title of publication: Benzo-Bridged Bis(1,2,3-dithiazoles) and Their Selenium Analogues. Preparation, Molecular and Electronic Structures, and Redox Chemistry
• Authors of publication: T. M. Barclay; A. W. Cordes; J. D. Goddard; R. C. Mawhinney; R. T. Oakley; K. E. Preuss; R. W. Reed
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 12136 - 12141
• a: 7.2015 ± 0.0006 Å
• b: 7.2286 ± 0.0009 Å
• c: 11.2841 ± 0.001 Å
• α: 104.746 ± 0.009°
• β: 100.965 ± 0.008°
• γ: 99.638 ± 0.008°
• Cell volume: 543.09 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No