Information card for entry 7026831

Structure parameters

• Formula: C15 H13 F5 I P
• Calculated formula: C15 H13 F5 I P
• SMILES: [I-].[P+](c1ccccc1)(Cc1c(F)c(F)c(F)c(F)c1F)(C)C
• Title of publication: CH-anion versus anion-π interactions in the crystal and in solution of pentafluorobenzyl phosphonium salts.
• Authors of publication: Müller, Michael; Albrecht, Markus; Sackmann, Johannes; Hoffmann, Andreas; Dierkes, Fiete; Valkonen, Arto; Rissanen, Kari
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 47
• Pages of publication: 11329 - 11334
• a: 12.6682 ± 0.0003 Å
• b: 18.0617 ± 0.0004 Å
• c: 14.374 ± 0.0003 Å
• α: 90°
• β: 90.972 ± 0.002°
• γ: 90°
• Cell volume: 3288.43 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No