Information card for entry 7006260

Structure parameters

• Formula: C16 H17 Au F5 N3 O
• Calculated formula: C16 H17 Au F5 N3 O
• SMILES: [Au](=C(N(CC)CC)Nc1ccncc1)c1c(F)c(F)c(F)c(F)c1F.O
• 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: 9.757 ± 0.002 Å
• b: 10.193 ± 0.002 Å
• c: 11.011 ± 0.002 Å
• α: 95.063 ± 0.004°
• β: 109.391 ± 0.004°
• γ: 115.267 ± 0.003°
• Cell volume: 899.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No