Information card for entry 7004430

Structure parameters

• Common name: [Au{C(NHCH3)(NHCH2CH2OH)}2]3(PF6)2Cl.(H2O)2
• Formula: C24 H64 Au3 Cl F12 N12 O8 P2
• Calculated formula: C24 H60 Au3 Cl F12 N12 O8 P2
• Title of publication: Colorless, non-luminescent; colorless, luminescent; and yellow, luminescent crystals of the cation [Au{C(NHCH3)(NHCH2CH2OH)}2]+. The roles of anions and hydrogen bonding in determining the aggregation of two-coordinate gold(i) cations
• Authors of publication: Rios, Daniel; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 31
• Pages of publication: 4157 - 4164
• a: 9.3313 ± 0.0015 Å
• b: 20.479 ± 0.003 Å
• c: 24.237 ± 0.004 Å
• α: 90°
• β: 91.087 ± 0.002°
• γ: 90°
• Cell volume: 4630.8 ± 1.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• 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: 0.1045
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No