Information card for entry 4320259

Structure parameters

• Common name: compound_1
• Formula: C8 H21 Au Cl4 O6
• Calculated formula: C8 H16 Au Cl4 O6
• Title of publication: Oxonium Ions from Aqua Regia: Isolation by Hydrogen Bonding to Crown Ethers
• Authors of publication: Maria Calleja; Karin Johnson; Warwick J. Belcher; Jonathan W. Steed
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4978 - 4985
• a: 8.2616 ± 0.0007 Å
• b: 12.2727 ± 0.001 Å
• c: 8.2855 ± 0.0006 Å
• α: 90°
• β: 90.295 ± 0.004°
• γ: 90°
• Cell volume: 840.07 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 10
• Hermann-Mauguin space group symbol: P 1 2/m 1
• Hall space group symbol: -P 2y
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0858
• 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: Yes
• Has Fobs: No