Information card for entry 4333685

Structure parameters

• Formula: C26 H27 B2 Bi F6 N2 O3
• Calculated formula: C26 H27 B2 Bi F6 N2 O3
• SMILES: B1(OB(O[Bi]23(O1)c1c(cccc1C[N]2(C)C)C[N]3(C)C)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
• Title of publication: Synthesis and Structural Characterization of Heteroboroxines with MB2O3 Core (M = Sb, Bi, Sn)
• Authors of publication: Barbora Mairychová; Tomáš Svoboda; Petr Štěpnička; Aleš Růžička; Remco W. A. Havenith; Mercedes Alonso; Frank De Proft; Roman Jambor; Libor Dostál
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1424 - 1431
• a: 12.661 ± 0.0009 Å
• b: 24.1351 ± 0.001 Å
• c: 9.295 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2840.3 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No