Information card for entry 4077863

Structure parameters

• Formula: C22 H16 As Cl
• Calculated formula: C22 H16 As Cl
• SMILES: [As]1(Cl)Cc2c(c3c(cc2)cccc3)c2c(C1)ccc1ccccc21
• 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: 16.776 ± 0.0004 Å
• b: 16.776 ± 0.0004 Å
• c: 11.0926 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2703.59 ± 0.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No