Information card for entry 7006262

Structure parameters

• Formula: C16 H11 Au F9 N3
• Calculated formula: C16 H11 Au F9 N3
• SMILES: [Au](c1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F)=C(NC)Nc1ccncc1
• Title of publication: Gold(i)‒carbenes derived from 4-pyridylisocyanide complexes: supramolecular macrocycles supported by hydrogen bonds, and luminescent behavior
• Authors of publication: Bartolomé, Camino; Carrasco-Rando, Marta; Coco, Silverio; Cordovilla, Carlos; Espinet, Pablo; Martín-Alvarez, Jose M.
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 45
• Pages of publication: 5339
• a: 9.457 ± 0.0008 Å
• b: 14.2139 ± 0.0013 Å
• c: 15.7496 ± 0.0014 Å
• α: 63.952 ± 0.002°
• β: 89.816 ± 0.002°
• γ: 79.969 ± 0.002°
• Cell volume: 1866.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No