Information card for entry 4066651

Structure parameters

• Formula: C20 H26 Bi S2 Si2
• Calculated formula: C20 H25 Bi S2 Si2
• SMILES: [Bi]1(c2cc(sc2c2sc([Si](C)(C)C)cc12)[Si](C)(C)C)c1ccccc1
• Title of publication: Synthesis of Dithienobismoles as Novel Phosphorescence Materials
• Authors of publication: Ohshita, Joji; Matsui, Shigenori; Yamamoto, Roh; Mizumo, Tomonobu; Ooyama, Yousuke; Harima, Yutaka; Murafuji, Toshihiro; Tao, Keisuke; Kuramochi, Yusuke; Kaikoh, Takashi; Higashimura, Hideyuki
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3239
• a: 14.7703 ± 0.0008 Å
• b: 6.5197 ± 0.0002 Å
• c: 25.225 ± 0.0014 Å
• α: 90 ± 0.0007°
• β: 100.969 ± 0.0008°
• γ: 90 ± 0.0007°
• Cell volume: 2384.7 ± 0.2 ų
• Cell temperature: 293.1 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 significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 7.987
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No