Information card for entry 7052475

Structure parameters

• Formula: C10 H27 Au Cl4 O8
• Calculated formula: C10 H27 Au Cl4 O8
• SMILES: [Au](Cl)(Cl)(Cl)[Cl-].O1CCOCCOCCOCCOCC1.O.[OH2][H+][OH2]
• Title of publication: Single crystal neutron and X-ray diffraction studies of (H7O3)[AuCl4]·15-crown-5
• Authors of publication: Calleja, Maria; Mason, Sax A.; Paul D. Prince; Steed, Jonathan W.; Wilkinson, Clive
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 1475 - 1478
• a: 7.9346 ± 0.0004 Å
• b: 18.6728 ± 0.0009 Å
• c: 13.9672 ± 0.0007 Å
• α: 90°
• β: 104.485 ± 0.003°
• γ: 90°
• Cell volume: 2003.62 ± 0.17 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.2316 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No