Information card for entry 7204428

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: 16.3534 ± 0.0004 Å
• b: 5.382 ± 0.0002 Å
• c: 19.3559 ± 0.0006 Å
• α: 90°
• β: 110.524 ± 0.0014°
• γ: 90°
• Cell volume: 1595.46 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No