Information card for entry 4302857

Structure parameters

• Chemical name: 1,3-bis-(trifluoromethylsulfonato)-2,4-bis-(2,4,6-tri-tert-butylphenyl)-cyclo- 1,3-diarsa-2,4-diazane
• Formula: C38 H58 As2 F6 N2 O6 S2
• Calculated formula: C38 H58 As2 F6 N2 O6 S2
• SMILES: N1([As](OS(=O)(=O)C(F)(F)F)N([As]1OS(=O)(=O)C(F)(F)F)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 11.306 ± 0.002 Å
• b: 16.537 ± 0.003 Å
• c: 11.929 ± 0.002 Å
• α: 90°
• β: 90.09 ± 0.03°
• γ: 90°
• Cell volume: 2230.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No