Information card for entry 7700709

Structure parameters

• Formula: C17 H14 F6 N4 O6 S2 Se2
• Calculated formula: C17 H14 F6 N4 O6 S2 Se2
• Title of publication: Synthetic and structural investigations of bis(N-alkyl-benzoselenadiazolium) cations.
• Authors of publication: Lee, Lucia Myongwon; Corless, Victoria; Luu, Helen; He, Allan; Jenkins, Hilary; Britten, James F.; Adam Pani, Faisal; Vargas-Baca, Ignacio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 33
• Pages of publication: 12541 - 12548
• a: 11.9799 ± 0.0002 Å
• b: 29.8901 ± 0.0006 Å
• c: 6.6354 ± 0.0001 Å
• α: 90°
• β: 93.94 ± 0.001°
• γ: 90°
• Cell volume: 2370.39 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.95 K
• Number of distinct elements: 7
• 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: 0.0325
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No