Information card for entry 7052001

Structure parameters

• Common name: 2_S2Se2
• Formula: C32 H22 S2 Se2
• Calculated formula: C32 H22 S2 Se2
• SMILES: [Se](c1ccccc1)c1cccc2cccc(c12)SSc1cccc2cccc(c12)[Se]c1ccccc1
• Title of publication: Extended hypervalent E′⋯E–E⋯E′ 4c–6e (E, E′ = Se, S) interactions: structure, stability and reactivity of 1-(8-PhE′C10H6)EE(C10H6E′Ph-8′)-1′
• Authors of publication: Nakanishi, Waro; Hayashi, Satoko; Morinaka, Sayuri; Sasamori, Takahiro; Tokitoh, Norihiro
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 1881
• a: 25.3639 ± 0.0005 Å
• b: 11.9664 ± 0.0004 Å
• c: 19.4789 ± 0.0006 Å
• α: 90°
• β: 118.995 ± 0.0012°
• γ: 90°
• Cell volume: 5171.1 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No