Information card for entry 7700706

Structure parameters

• Formula: C20 H16 B2 F8 N4 Se2
• Calculated formula: C20 H16 B2 F8 N4 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: 6.4979 ± 0.0003 Å
• b: 11.9131 ± 0.0006 Å
• c: 14.6745 ± 0.0008 Å
• α: 90°
• β: 97.399 ± 0.003°
• γ: 90°
• Cell volume: 1126.5 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No