Information card for entry 7700704

Structure parameters

• Formula: C18 H20 Cl2 N4 O Se2
• Calculated formula: C18 H20 Cl2 N4 O 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: 8.9756 ± 0.0003 Å
• b: 12.4952 ± 0.0004 Å
• c: 9.3428 ± 0.0003 Å
• α: 90°
• β: 108.347 ± 0.002°
• γ: 90°
• Cell volume: 994.55 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No