Information card for entry 7700708

Structure parameters

• Formula: C16 H12 F6 N4 O6 S2 Se2
• Calculated formula: C16 H12 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: 8.3966 ± 0.0016 Å
• b: 11.3 ± 0.002 Å
• c: 11.9466 ± 0.0019 Å
• α: 90.953 ± 0.003°
• β: 90.846 ± 0.004°
• γ: 94.122 ± 0.004°
• Cell volume: 1130.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No