Information card for entry 7029754

Structure parameters

• Formula: C24 H27 B2 Bi Br2 N2 O3
• Calculated formula: C24 H27 B2 Bi Br2 N2 O3
• SMILES: c1(c(cccc1CN(C)C)CN(C)C)[Bi]1OB(c2ccc(Br)cc2)OB(c2ccc(Br)cc2)O1
• Title of publication: Synthesis of heteroboroxines with MB2O3 core (M = Sb, Bi, Sn)-an influence of the substitution of parent boronic acids.
• Authors of publication: Kořenková, Monika; Mairychová, Barbora; Růžička, Aleš; Jambor, Roman; Dostál, Libor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7096 - 7108
• a: 12.5821 ± 0.0007 Å
• b: 23.464 ± 0.0006 Å
• c: 9.1219 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2693 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No