Information card for entry 7103229

Structure parameters

• Common name: N-methylbenzylselanadiazolium OTf
• Formula: C8 H7 F3 N2 O3 S Se
• Calculated formula: C8 H7 F3 N2 O3 S Se
• Title of publication: Self-association of the N-methyl benzotellurodiazolylium cation: implications for the generation of super-heavy atom radicals.
• Authors of publication: Risto, Maarit; Reed, Robert W; Robertson, Craig M; Oilunkaniemi, Raija; Laitinen, Risto S; Oakley, Richard T
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 28
• Pages of publication: 3278 - 3280
• a: 8.403 ± 0.002 Å
• b: 8.5474 ± 0.0019 Å
• c: 16.738 ± 0.004 Å
• α: 90°
• β: 95.91 ± 0.004°
• γ: 90°
• Cell volume: 1195.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0784
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No