Information card for entry 4333683

Structure parameters

• Formula: C24 H29 B2 N2 O3 Sb
• Calculated formula: C24 H29 B2 N2 O3 Sb
• SMILES: [Sb]12(OB(OB(O1)c1ccccc1)c1ccccc1)[N](Cc1c2c(CN(C)C)ccc1)(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: 6.532 ± 0.0005 Å
• b: 31.944 ± 0.003 Å
• c: 12.539 ± 0.0003 Å
• α: 90°
• β: 113.171 ± 0.005°
• γ: 90°
• Cell volume: 2405.3 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No