Information card for entry 1513841

Structure parameters

• Common name: di(N,N bis(2,6 diisopropylphenyl) imidazolium) chloride bis(trimethylsilyl)heptaphosphide tritetrahydrofuran
• Chemical name: di(N,N bis(2,6 diisopropylphenyl) imidazolium) chloride bis(trimethylsilyl)heptaphosphide tritetrahydrofuran
• Formula: C72 H116 Cl N4 O3 P7 Si2
• Calculated formula: C72 H116 Cl N4 O3 P7 Si2
• SMILES: O1CCCC1.O1CCCC1.O1CCCC1.C[Si](P1P2P3P2P(P1[P-]3)[Si](C)(C)C)(C)C.CC(c1cccc(c1n1cc[n+](c1)c1c(cccc1C(C)C)C(C)C)C(C)C)C.CC(c1cccc(c1n1cc[n+](c1)c1c(cccc1C(C)C)C(C)C)C(C)C)C.[Cl-]
• Title of publication: Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals
• Authors of publication: Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1545
• a: 22.3995 ± 0.0003 Å
• b: 12.1255 ± 0.0002 Å
• c: 29.5997 ± 0.0005 Å
• α: 90°
• β: 90.82 ± 0.001°
• γ: 90°
• Cell volume: 8038.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.311
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No