Information card for entry 2214204

Structure parameters

• Chemical name: Bis[(<i>R</i>)-lactamido-κ^2^<i>O</i>,<i>O</i>']boron(III) bromide
• Formula: C6 H12 B Br N2 O4
• Calculated formula: C6 H12 B Br N2 O4
• SMILES: [Br-].[B]12([O]=C(N)[C@@H](O1)C)[O]=C(N)[C@@H](O2)C
• Title of publication: Bis[(<i>R</i>)-lactamido-κ^2^<i>O</i>,<i>O</i>']boron(III) bromide
• Authors of publication: Bekaert, Alain; Lemoine, Pascale; Brion, Jean Daniel; Viossat, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3187 - o3189
• a: 5.5806 ± 0.0003 Å
• b: 6.0026 ± 0.0004 Å
• c: 9.7951 ± 0.0006 Å
• α: 98.823 ± 0.003°
• β: 97.302 ± 0.004°
• γ: 116.858 ± 0.003°
• Cell volume: 281.99 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes