Information card for entry 4333684

Structure parameters

• Formula: C32 H37 B2 Fe2 N2 O3 Sb
• Calculated formula: C32 H37 B2 Fe2 N2 O3 Sb
• SMILES: [Sb]1(OB([c]23[Fe]456789%10([cH]([cH]7[cH]24)[cH]35)[cH]2[cH]6[cH]%10[cH]8[cH]92)OB([c]23[Fe]456789%10([cH]2[cH]6[cH]4[cH]35)[cH]2[cH]7[cH]8[cH]%10[cH]92)O1)c1c(CN(C)C)cccc1CN(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: 20.409 ± 0.0009 Å
• b: 12.1311 ± 0.001 Å
• c: 12.48 ± 0.0014 Å
• α: 90°
• β: 95.455 ± 0.005°
• γ: 90°
• Cell volume: 3075.9 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No