Information card for entry 4114660

Structure parameters

• Common name: [Au{C(NMe2)(NHMe)}2](PF6)
• Formula: C8 H20 Au F6 N4 P
• Calculated formula: C8 H20 Au F6 N4 P
• SMILES: C(N(C)C)(NC)=[Au]=C(N(C)C)NC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Remarkable Variations in the Luminescence of Frozen Solutions of [Au{C(NHMe)2}2](PF6).0.5(Acetone). Structural and Spectroscopic Studies of the Effects of Anions and Solvents on Gold(I) Carbene Complexes
• Authors of publication: Rochelle L. White-Morris; Marilyn M. Olmstead; Feilong Jiang; Dino S. Tinti; Alan L. Balch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 2327 - 2336
• a: 12.2551 ± 0.0006 Å
• b: 7.2162 ± 0.0004 Å
• c: 8.5987 ± 0.0004 Å
• α: 90°
• β: 98.428 ± 0.001°
• γ: 90°
• Cell volume: 752.22 ± 0.07 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0143
• Residual factor for significantly intense reflections: 0.0143
• Weighted residual factors for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No