Information card for entry 4304876

Structure parameters

• Common name: [Au{C(NHCH3)2}2]PF6
• Formula: C6 H16 Au F6 N4 P
• Calculated formula: C6 H16 Au F6 N4 P
• SMILES: CNC(NC)=[Au]=C(NC)NC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Blue or Green Glowing Crystals of the Cation [Au{C(NHMe)2}2]+. Structural Effects of Anions, Hydrogen Bonding, and Solvate Molecules on the Luminescence of a Two-Coordinate Gold(I) Carbene Complex
• Authors of publication: Daniel Rios; David M. Pham; James C. Fettinger; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3442 - 3451
• a: 19.8652 ± 0.0015 Å
• b: 6.7447 ± 0.0005 Å
• c: 10.1085 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1354.39 ± 0.18 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No