Information card for entry 4066765

Structure parameters

• Formula: C13 H19 Bi N2 S3
• Calculated formula: C13 H19 Bi N2 S3
• SMILES: [Bi]123(SC(S1)=S)c1c(C[N]3(C)C)cccc1C[N]2(C)C
• Title of publication: [2 + 2] Cycloaddition of Carbon Disulfide to NCN-Chelated†Organoantimony(III) and Organobismuth(III) Sulfides: Evidence for Terminal Sb−S and Bi−S Bonds in Solution‡
• Authors of publication: Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Černošková, Eva; Beneš, Ludvík; Proft, Frank de
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4486
• a: 11.8121 ± 0.0005 Å
• b: 8.831 ± 0.0004 Å
• c: 18.9362 ± 0.0009 Å
• α: 90°
• β: 121.873 ± 0.004°
• γ: 90°
• Cell volume: 1677.45 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No