Information card for entry 4320205

Structure parameters

• Common name: BSe
• Chemical name: Benzo[2,1-c:3,4-c ]bis(1,2,3-thiaselenazole)
• Formula: C4 Cl2 N4 S4
• Calculated formula: C4 Cl2 N4 S4
• Title of publication: Benzo[2,1-c:3,4-c']bis(1,2,3-thiaselenazole) (BSe) and Its Charge Transfer Chemistry. Crystal and Electronic Structure of [BSe]3[ClO4]2
• Authors of publication: Leanne Beer; James F. Britten; A. Wallace Cordes; Owen P. Clements; Richard T. Oakley; Maren Pink; Robert W. Reed
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4705 - 4709
• a: 5.1469 ± 0.0015 Å
• b: 13.343 ± 0.002 Å
• c: 14.2031 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 975.4 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.023
• Weighted residual factors for all reflections: 0.047
• Goodness-of-fit parameter for all reflections: 0.87
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No