Information card for entry 4320267

Structure parameters

• Common name: compound_9
• Formula: C28 H45 Au Cl4 N2 O17
• Calculated formula: C28 H37 Au Cl4 N2 O17
• 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: 11.4366 ± 0.0009 Å
• b: 13.6666 ± 0.0015 Å
• c: 24.949 ± 0.003 Å
• α: 90°
• β: 90.487 ± 0.006°
• γ: 90°
• Cell volume: 3899.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1681
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No