Information card for entry 7004426

Structure parameters

• Common name: [Au{C(NHCH3)(NHCH2CH2OH)}2]Cl
• Formula: C8 H20 Au Cl N4 O2
• Calculated formula: C8 H20 Au Cl N4 O2
• SMILES: C(NC)(NCCO)=[Au]=C(NC)NCCO.[Cl-]
• 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: 12.807 ± 0.003 Å
• b: 6.789 ± 0.0011 Å
• c: 16.07 ± 0.003 Å
• α: 90°
• β: 108.42 ± 0.004°
• γ: 90°
• Cell volume: 1325.6 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No