Information card for entry 4126229

Structure parameters

• Formula: C8 H20 Cl N O3 Xe
• Calculated formula: C8 H20 Cl N O3 Xe
• SMILES: [Xe](=O)(=O)=O.[Cl-].[N+](CC)(CC)(CC)CC
• Title of publication: Stable Chloro- and Bromoxenate Cage Anions; [X3(XeO3)3](3-) and [X4(XeO3)4](4-) (X = Cl or Br).
• Authors of publication: Goettel, James T.; Haensch, Veit; Schrobilgen, Gary J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 19.0517 ± 0.0007 Å
• b: 13.3595 ± 0.0004 Å
• c: 15.4892 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3942.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No