Information card for entry 4077865

Structure parameters

• Formula: C34 H35 As F6 O P2
• Calculated formula: C34 H35 As F6 O P2
• SMILES: [As]1([P+](C)(C)c2ccccc2)Cc2c(c3c(cc2)cccc3)c2c(C1)ccc1ccccc21.[P](F)(F)(F)(F)(F)[F-].O=C(C)CC
• Title of publication: Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion
• Authors of publication: Kilah, Nathan L.; Wild, S. Bruce
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2658
• a: 8.277 ± 0.0001 Å
• b: 13.4613 ± 0.0002 Å
• c: 29.0898 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3241.16 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No