Information card for entry 4320266

Structure parameters

• Common name: compound_8
• Formula: C40 H51 Au Cl12 O17
• Calculated formula: C40 H40 Au Cl12 O17
• SMILES: [Au](Cl)(Cl)(Cl)[Cl-].Clc1c(Cl)cc2OCCOCCOc3c(OCCOCCOc2c1)cc(Cl)c(Cl)c3.Clc1c(Cl)cc2OCCOCCOc3c(OCCOCCOc2c1)cc(Cl)c(Cl)c3.[OH3+].O.O.O.O
• 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: 20.49 ± 0.002 Å
• b: 12.39 ± 0.001 Å
• c: 21.171 ± 0.002 Å
• α: 90°
• β: 91.536 ± 0.006°
• γ: 90°
• Cell volume: 5372.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No