Information card for entry 4088485

Structure parameters

• Common name: Phenyl BP cluster
• Formula: C45 H40 B P
• Calculated formula: C45 H40 B P
• Title of publication: Reactivity of a Phosphaalkyne with Pentaarylboroles
• Authors of publication: Barnard, Jonathan H.; Yruegas, Sam; Couchman, Shannon A.; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 929
• a: 10.5235 ± 0.0003 Å
• b: 16.9647 ± 0.0005 Å
• c: 21.169 ± 0.0007 Å
• α: 66.6893 ± 0.0012°
• β: 82.5213 ± 0.0012°
• γ: 89.1313 ± 0.0012°
• Cell volume: 3438.5 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No