Information card for entry 7106260

Structure parameters

• Formula: C41 H44 As Cl2 F6 N5 O6 S2
• Calculated formula: C41 H44 As Cl2 F6 N5 O6 S2
• SMILES: [As]12([n]4ccccc4c4[n]1cccc4)[N](c1c(cc(C)cc1C)C)=C(Nc1c(cc(C)cc1C)C)N2c1c(C)cc(cc1C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.ClCCl
• Title of publication: A base-stabilised arsenic(III) dication
• Authors of publication: Allison L. Brazeau; Anton S. Nikouline; Paul J. Ragogna
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4817
• a: 46.542 ± 0.006 Å
• b: 11.8257 ± 0.0013 Å
• c: 17.16 ± 0.002 Å
• α: 90°
• β: 109.257 ± 0.005°
• γ: 90°
• Cell volume: 8916.3 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No