Information card for entry 4302859

Structure parameters

• Chemical name: 1-chloro-3-(trifluoromethylsulfonato)-2,4-bis[2,4-bis-(2,4,6-trimethylphenyl) phenyl]-cyclo-1,3-diarsa-2,4-diazane
• Formula: C49 H50 As2 Cl F3 N2 O3 S
• Calculated formula: C49 H50 As2 Cl F3 N2 O3 S
• SMILES: [As]1(N([As](Cl)N1c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)OS(=O)(=O)C(F)(F)F
• Title of publication: Cyclic Arsenic-Nitrogen Cations
• Authors of publication: Axel Schulz; Alexander Villinger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7359 - 7367
• a: 13.742 ± 0.003 Å
• b: 14.494 ± 0.003 Å
• c: 23.784 ± 0.005 Å
• α: 90°
• β: 91.51 ± 0.03°
• γ: 90°
• Cell volume: 4735.6 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No