Information card for entry 7035587

Structure parameters

• Chemical name: 1,3-bis(2,6-diisopropylphenyl)-2-phosphanylimidazolidine
• Formula: C27 H41 N2 P
• Calculated formula: C27 H41 N2 P
• SMILES: PC1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(cccc1C(C)C)C(C)C
• Title of publication: Carbene insertion into a P-H bond: parent phosphinidene-carbene adducts from PH3 and bis(phosphinidene)mercury complexes.
• Authors of publication: Bispinghoff, Mark; Tondreau, Aaron M.; Grützmacher, Hansjörg; Faradji, Charly A.; Pringle, Paul G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5999 - 6003
• a: 12.1771 ± 0.0003 Å
• b: 16.0504 ± 0.0003 Å
• c: 26.4131 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5162.37 ± 0.19 ų
• Cell temperature: 105.7 ± 0.3 K
• Ambient diffraction temperature: 105.7 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No