Information card for entry 4080937

Structure parameters

• Formula: C28 H18 S2 Sn
• Calculated formula: C28 H18 S2 Sn
• SMILES: [Sn]1(c2c(sc3c2cccc3)c2sc3c(c12)cccc3)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Optical Properties, and Crystal Structures of Dithienostannoles
• Authors of publication: Tanaka, Daiki; Ohshita, Joji; Ooyama, Yousuke; Kobayashi, Norifumi; Higashimura, Hideyuki; Nakanishi, Takayuki; Hasegawa, Yasuchika
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4136
• a: 9.8322 ± 0.0019 Å
• b: 14.341 ± 0.003 Å
• c: 18.363 ± 0.003 Å
• α: 90°
• β: 93.38 ± 0.005°
• γ: 90°
• Cell volume: 2584.7 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• 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: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.2567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No