Information card for entry 7008716

Structure parameters

• Formula: C40 H36 Au3 F8 N3 O3
• Calculated formula: C40 H36 Au3 F8 N3 O3
• SMILES: [Au]([N](c1ccc(cc1)C)=C2OCC)C(OCC)=[N]([Au]C(OCC)=[N]([Au]2)c1ccc(cc1)C)c1ccc(cc1)C.Fc1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12
• Title of publication: External heavy-atom effect of gold in a supramolecular acid-base pi stack.
• Authors of publication: Mohamed, Ahmed A.; Rawashdeh-Omary, Manal A; Omary, Mohammad A.; Fackler, Jr, John P
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 15
• Pages of publication: 2597 - 2602
• a: 7.292 ± 0.002 Å
• b: 21.289 ± 0.006 Å
• c: 25.589 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3972.4 ± 1.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No