Information card for entry 4083668

Structure parameters

• Formula: C17.5 H38 B11 Bi Cl2 O2
• Calculated formula: C17.5 H38 B11 Bi Cl2 O2
• SMILES: c12c3C[O]([Bi]2([O](Cc1ccc3)C(C)(C)C)Cl)C(C)(C)C.[BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%141([BH]1%152[BH]235[BH]368[BH]59%11[BH]%12%141[BH]%15235)[CH]47%10%13.C(Cl)Cl
• 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: 19.906 Å
• b: 12.971 Å
• c: 22.153 Å
• α: 90°
• β: 100.13°
• γ: 90°
• Cell volume: 5630.75 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No