Information card for entry 7004429

Structure parameters

• Common name: [Au{C(NHCH3)(NHCH2CH2OH)}2]PF6
• Formula: C8 H20 Au F6 N4 O2 P
• Calculated formula: C8 H20 Au F6 N4 O2 P
• 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: 12.532 ± 0.0017 Å
• b: 21.058 ± 0.003 Å
• c: 12.794 ± 0.003 Å
• α: 90°
• β: 104.63 ± 0.002°
• γ: 90°
• Cell volume: 3266.9 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No