Information card for entry 7028250

Structure parameters

• Chemical name: 2-(1,3-bis(2,6-diisopropylphenyl)-1,3,2-diazaborolen-2-yl)- 1,3-bis(2,6-dimethylphenyl)-1,3,2-diazaphospholene
• Formula: C44 H56 B N4 P
• Calculated formula: C44 H56 B N4 P
• SMILES: p1(n(ccn1c1c(cccc1C)C)c1c(cccc1C)C)B1N(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: 12.4257 ± 0.0004 Å
• b: 12.4802 ± 0.0005 Å
• c: 13.2635 ± 0.0005 Å
• α: 97.682 ± 0.002°
• β: 98.396 ± 0.002°
• γ: 103.761 ± 0.002°
• Cell volume: 1945.8 ± 0.13 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: 0.0565
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No