Information card for entry 4083664

Structure parameters

• Formula: C17 H25 Bi Cl F3 O5 S
• Calculated formula: C17 H25 Bi Cl F3 O5 S
• SMILES: [Bi]12(Cl)([O](Cc3cccc(C[O]1C(C)(C)C)c23)C(C)(C)C)OS(=O)(=O)C(F)(F)F
• 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: 12.786 ± 0.0012 Å
• b: 15.094 ± 0.0014 Å
• c: 11.514 ± 0.0011 Å
• α: 90 ± 0.007°
• β: 101.349 ± 0.006°
• γ: 90 ± 0.007°
• Cell volume: 2178.7 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0873
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No