Information card for entry 7115278

Structure parameters

• Formula: C62 H84 B2 F3 N3 O3 S
• Calculated formula: C62 H84 B2 F3 N3 O3 S
• Title of publication: An efficient synthetic route to stable bis(carbene)borylenes [(L1)(L2)BH]
• Authors of publication: David A. Ruiz; Mohand Melaimi; Guy Bertrand
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7837
• a: 22.26 ± 0.012 Å
• b: 13.788 ± 0.007 Å
• c: 19.769 ± 0.01 Å
• α: 90°
• β: 106.57 ± 0.007°
• γ: 90°
• Cell volume: 5816 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1833
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No