Information card for entry 7114416

Structure parameters

• Chemical name: Trip-Se-S-SnPh3 (Trip = 9-triptycyl)
• Formula: C38 H28 S Se Sn
• Calculated formula: C38 H28 S Se Sn
• SMILES: [Sn](S[Se]C12c3ccccc3C(c3c1cccc3)c1ccccc21)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: First synthesis and characterization of isolable thioselenenic acid, triptycene-9-thioselenenic acid
• Authors of publication: Ishii, Akihiko; Takahashi, Takeshi; Tawata, Akira; Furukawa, Aki; Oshida, Hideaki; Nakayama, Juzo
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2810 - 2811
• a: 11.473 ± 0.0004 Å
• b: 15.41 ± 0.0006 Å
• c: 17.634 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3117.67 ± 0.19 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No