Information card for entry 4506832

Structure parameters

• Common name: FBPTSMe
• Formula: C6 H3 F N3 S2 Se2
• Calculated formula: C6 H3 F N3 S2 Se2
• Title of publication: A Pressure Induced Structural Dichotomy in Isostructural Bis-1,2,3-thiaselenazolyl Radical Dimers
• Authors of publication: Lekin, Kristina; Leitch, Alicea A.; Tse, John S.; Bao, Xuezhao; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Oakley, Richard T.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4676
• a: 3.5991 ± 0.00017 Å
• b: 13.88062 ± 0.00035 Å
• c: 14.5372 ± 0.0015 Å
• α: 90°
• β: 84.851 ± 0.006°
• γ: 90°
• Cell volume: 723.32 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• RFsqd: 0.08383
• Goodness-of-fit parameter for all reflections: 2.24
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.51446 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No