Information card for entry 7026813

Structure parameters

• Formula: C40 H27 Au3 F8 N6
• Calculated formula: C40 H27 Au3 F8 N6
• SMILES: [Au]1[n]2c([Au][n]3c([Au][n]4c1n(cc4)Cc1ccccc1)n(cc3)Cc1ccccc1)n(cc2)Cc1ccccc1.Fc1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12
• Title of publication: Structure and luminescence properties of a well-known macrometallocyclic trinuclear Au(I) complex and its adduct with a perfluorinated fluorophore showing cooperative anisotropic supramolecular interactions.
• Authors of publication: Elbjeirami, Oussama; Rashdan, Maher D.; Nesterov, Vladimir; Rawashdeh-Omary, Manal A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9465 - 9468
• a: 6.8775 ± 0.0011 Å
• b: 13.655 ± 0.002 Å
• c: 20.411 ± 0.003 Å
• α: 75.829 ± 0.002°
• β: 87.141 ± 0.002°
• γ: 87.703 ± 0.002°
• Cell volume: 1855.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No