Information card for entry 7028251

Structure parameters

• Chemical name: 1,3-bis(2,6-diisopropylphenyl)-2-(phenylphosphanyl)-1,3,2-diazaborolene
• Formula: C32 H42 B N2 P
• Calculated formula: C32 H42 B N2 P
• Title of publication: Phosphines with N-heterocyclic boranyl substituents.
• Authors of publication: Kaaz, M.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 680 - 689
• a: 12.0947 ± 0.0013 Å
• b: 13.6131 ± 0.0012 Å
• c: 17.9876 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2961.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No