Information card for entry 4117087

Structure parameters

• Formula: C6 Al2 Cl10 N2 S2 Se2
• Calculated formula: C6 Al2 Cl10 N2 S2 Se2
• 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: 9.1189 ± 0.0013 Å
• b: 12.0258 ± 0.0019 Å
• c: 9.8823 ± 0.001 Å
• α: 90°
• β: 92.368 ± 0.01°
• γ: 90°
• Cell volume: 1082.8 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.071
• Goodness-of-fit parameter for significantly intense reflections: 1.99
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No