Information card for entry 7052000

Structure parameters

• Common name: 1 Se2S2
• Formula: C32 H22 S2 Se2
• Calculated formula: C32 H22 S2 Se2
• SMILES: [Se]([Se]c1cccc2cccc(Sc3ccccc3)c12)c1cccc2cccc(Sc3ccccc3)c12
• 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: 9.579 ± 0.003 Å
• b: 11.979 ± 0.004 Å
• c: 12.141 ± 0.004 Å
• α: 91.773 ± 0.004°
• β: 102.912 ± 0.004°
• γ: 110.758 ± 0.002°
• Cell volume: 1260.5 ± 0.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No