Information card for entry 7032272

Structure parameters

• Formula: C42.5 H55 B N2 O
• Calculated formula: C42.4035 H54.7105 B N2 O
• Title of publication: Protonolysis and thermolysis reactions of functionalised NHC-carbene boranes and borates.
• Authors of publication: Arnold, Polly L.; Bell, Nicola L.; Marr, Isobel H.; She, Siyi; Hamilton, Jonathan; Fraser, Craig; Wang, Kai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15419 - 15428
• a: 11.7096 ± 0.0006 Å
• b: 15.6144 ± 0.0009 Å
• c: 22.0422 ± 0.0018 Å
• α: 85.313 ± 0.006°
• β: 86.194 ± 0.006°
• γ: 68.487 ± 0.005°
• Cell volume: 3734 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1541
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No