Information card for entry 4320262

Structure parameters

• Common name: compound_4_I
• Formula: C12 H27 Au Cl4 O7
• Calculated formula: C12 H24 Au Cl4 O7
• SMILES: C1COCCOCCOCCOCCOCCO1.[Au](Cl)(Cl)(Cl)[Cl-].[OH3+]
• 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: 8.71 ± 0.003 Å
• b: 10.2103 ± 0.0004 Å
• c: 12.0284 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1069.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No