Information card for entry 4066653

Structure parameters

• Formula: C22 H29 Bi S2 Si2
• Calculated formula: C22 H29 Bi S2 Si2
• SMILES: [Bi]1(c2c(c(sc2c2sc([Si](C)(C)C)c(c12)C)[Si](C)(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: 15.4332 ± 0.0004 Å
• b: 17.7471 ± 0.0004 Å
• c: 18.5611 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5083.78 ± 0.19 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 4.538
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No