Information card for entry 7718538

Structure parameters

• Formula: C33 H33 B N4 S
• Calculated formula: C33 H33 B N4 S
• Title of publication: CO and CS bond activation by an annulated 1,4,2-diazaborole.
• Authors of publication: Pattathil, Vignesh; Pranckevicius, Conor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 8169 - 8173
• a: 7.563 ± 0.0006 Å
• b: 11.6778 ± 0.0009 Å
• c: 16.8015 ± 0.0012 Å
• α: 79.421 ± 0.003°
• β: 89.102 ± 0.003°
• γ: 72.302 ± 0.002°
• Cell volume: 1388.36 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1162
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No