Information card for entry 4320263

Structure parameters

• Common name: compound_4_II
• Formula: C12 H27 Au Cl4 O7
• Calculated formula: C12 H24 Au Cl4 O7
• 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: 13.4509 ± 0.0008 Å
• b: 12.0398 ± 0.0007 Å
• c: 20.275 ± 0.0011 Å
• α: 90°
• β: 100.084 ± 0.001°
• γ: 90°
• Cell volume: 3232.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1735
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2364
• Weighted residual factors for all reflections included in the refinement: 0.2632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No