Information card for entry 4123583

Structure parameters

• Chemical name: tris(1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) heptachloride (hydrogen chloride) octadecahydrate
• Formula: C27 H98.31 Au Cl8.67 N9 O18.32 P3
• Calculated formula: C27 H66 Au Cl8.669 N9 O18.326 P3
• Title of publication: Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.
• Authors of publication: Britvin, Sergey N.; Lotnyk, Andriy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 16
• Pages of publication: 5526 - 5535
• a: 20.889 ± 0.0004 Å
• b: 20.889 ± 0.0004 Å
• c: 25.8131 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9754.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No