Information card for entry 4319733

Structure parameters

• Formula: C4 Cl2 F6 N4 P S4
• Calculated formula: C4 Cl2 F6 N4 P S4
• Title of publication: 5,5'-Bridged Bis(1,2,3-dithiazoles): Spin States and Charge-Transfer Chemistry
• Authors of publication: Tosha M. Barclay; Leanne Beer; A. Wallace Cordes; Richard T. Oakley; Kathryn E. Preuss; Robert W. Reed; Nicholas J. Taylor
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2709 - 2714
• a: 11.699 ± 0.004 Å
• b: 12.753 ± 0.005 Å
• c: 10.461 ± 0.004 Å
• α: 90°
• β: 112.17 ± 0.01°
• γ: 90°
• Cell volume: 1445.4 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.062
• Weighted residual factors for all reflections: 0.086
• Goodness-of-fit parameter for all reflections: 1.64
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No