Information card for entry 4083666

Structure parameters

• Formula: C19 H27 Bi Cl2 F6 O8 S2
• Calculated formula: C19 H27 Bi Cl2 F6 O8 S2
• SMILES: [Bi]123(OS(=O)(=O)C(F)(F)F)(c4c(C[O]3C(C)(C)C)cccc4C[O]1C(C)(C)C)[O]=S(O2)(=O)C(F)(F)F.ClCCl
• Title of publication: Synthesis and Structural Study of Organoantimony(III) and Organobismuth(III) Triflates and Cations Containing O,C,O-Pincer Type Ligands†
• Authors of publication: Dostál, Libor; Novák, Petr; Jambor, Roman; Růžička, Aleš; Císařová, Ivana; Jirásko, Robert; Holeček, Jaroslav
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 2911
• a: 10.309 ± 0.0004 Å
• b: 12.556 ± 0.0009 Å
• c: 13.514 ± 0.0008 Å
• α: 97.763 ± 0.005°
• β: 111.887 ± 0.004°
• γ: 114.022 ± 0.005°
• Cell volume: 1395.1 ± 0.18 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No