Information card for entry 7028252

Structure parameters

• Chemical name: 1,3-bis(2,6-diisopropylphenyl)-2-phosphanyl-1,3,2-diazaborolene
• Formula: C26 H38 B N2 P
• Calculated formula: C26 H38 B N2 P
• SMILES: PB1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 7.5063 ± 0.0005 Å
• b: 9.4119 ± 0.0006 Å
• c: 18.388 ± 0.0014 Å
• α: 77.441 ± 0.003°
• β: 86.774 ± 0.004°
• γ: 78.004 ± 0.003°
• Cell volume: 1240.23 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No