Information card for entry 4304658

Structure parameters

• Formula: C36 H28 Au2 F10 N6 O2
• Calculated formula: C36 H28 Au2 F10 N6 O2
• SMILES: C(Nc1ccc(cc1)NC(Nc1ncccc1)=[Au]c1c(c(c(c(c1F)F)F)F)F)(Nc1ncccc1)=[Au]c1c(F)c(c(c(c1F)F)F)F.O=C(C)C.O=C(C)C
• Title of publication: Luminescent Gold(I) Carbenes from 2-Pyridylisocyanide Complexes: Structural Consequences of Intramolecular versus Intermolecular Hydrogen-Bonding Interactions
• Authors of publication: Camino Bartolomé; Marta Carrasco-Rando; Silverio Coco; Carlos Cordovilla; Jose M. Martín-Alvarez; Pablo Espinet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1616 - 1624
• a: 7.5507 ± 0.0017 Å
• b: 11.149 ± 0.003 Å
• c: 11.602 ± 0.003 Å
• α: 94.708 ± 0.005°
• β: 103.213 ± 0.005°
• γ: 97.937 ± 0.005°
• Cell volume: 935.2 ± 0.4 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: 0.0425
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No