Information card for entry 7703325

Structure parameters

• Chemical name: (Bpin)2bpy
• Formula: C11 H16 B N O2
• Calculated formula: C11 H16 B N O2
• Title of publication: A reagent for heteroatom borylation, including iron mediated reductive deoxygenation of nitrate yielding a dinitrosyl complex.
• Authors of publication: Beagan, Daniel M.; Carta, Veronica; Caulton, Kenneth G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1681 - 1687
• a: 6.5143 ± 0.0006 Å
• b: 10.6792 ± 0.0009 Å
• c: 16.5422 ± 0.0014 Å
• α: 90°
• β: 98.808 ± 0.005°
• γ: 90°
• Cell volume: 1137.23 ± 0.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No