Information card for entry 4333686

Structure parameters

• Formula: C32 H32 B2 F6 N2 O3 Sn
• Calculated formula: C32 H32 B2 F6 N2 O3 Sn
• SMILES: [Sn]12(OB(OB(O1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(c1ccccc1)c1c(cccc1C[N]2(C)C)CN(C)C
• 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: 22.36 ± 0.0006 Å
• b: 13.27 ± 0.001 Å
• c: 11.0911 ± 0.0016 Å
• α: 90°
• β: 93.94 ± 0.006°
• γ: 90°
• Cell volume: 3283.1 ± 0.5 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: 0.1007
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No