Information card for entry 7060611

Structure parameters

• Formula: C10 H10 N2 S4 Se2
• Calculated formula: C10 H10 N2 S4 Se2
• Title of publication: Diselenolene proligands: reactivity and comparison with their dithiolene congeners
• Authors of publication: Le Gal, Yann; Roisnel, Thierry; Barrière, Frédéric; Mori, Takehiko; Lorcy, Dominique
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8971 - 8977
• a: 7.9196 ± 0.0007 Å
• b: 8.7472 ± 0.0007 Å
• c: 20.8069 ± 0.0019 Å
• α: 90°
• β: 99.984 ± 0.003°
• γ: 90°
• Cell volume: 1419.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No