Information card for entry 4114659

Structure parameters

• Common name: [Au{C(NHMe)2}2].BF4
• Formula: C6 H16 Au B F4 N4
• Calculated formula: C6 H16 Au B F4 N4
• SMILES: C(NC)(=[Au]=C(NC)NC)NC.[B](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: 11.9132 ± 0.0007 Å
• b: 14.6089 ± 0.0009 Å
• c: 6.8923 ± 0.0004 Å
• α: 90°
• β: 94.588 ± 0.001°
• γ: 90°
• Cell volume: 1195.68 ± 0.12 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: 0.0162
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No