Information card for entry 7204427

Structure parameters

• Formula: C16 H12 N2 S2 Se2
• Calculated formula: C16 H12 N2 S2 Se2
• Title of publication: Synthesis of diselenadiazafulvalenes and influence of steric strain on their anodic behavior
• Authors of publication: Zdenko Časar; Ivan Leban; Alenka Majcen-Le Maréchal; Dominique Lorcy
• Journal of publication: J. Chem. Soc., Perkin Trans. 1
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1568 - 1573
• a: 9.8982 ± 0.0003 Å
• b: 10.007 ± 0.0003 Å
• c: 13.947 ± 0.0003 Å
• α: 102.747 ± 0.003°
• β: 104.027 ± 0.003°
• γ: 103.336 ± 0.003°
• Cell volume: 1246.92 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No