Information card for entry 7030965

Structure parameters

• Formula: C31 H22 Au F5 N2
• Calculated formula: C31 H22 Au F5 N2
• SMILES: [Au](c1c(c(c(c(c1F)F)F)F)F)=C(Nc1ccc2c3c1cccc3c1c3c2cccc3ccc1)N(CC)CC
• Title of publication: Highly fluorescent complexes with 3-isocyanoperylene and N-(2,5-di-tert-butylphenyl)-9-isocyano-perylene-3,4-dicarboximide.
• Authors of publication: Lentijo, S.; Expósito, J E; Aullón, G; Miguel, J. A.; Espinet, P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 10885 - 10897
• a: 7.703 ± 0.003 Å
• b: 11.939 ± 0.005 Å
• c: 15.079 ± 0.006 Å
• α: 71.471 ± 0.007°
• β: 86.857 ± 0.007°
• γ: 76.382 ± 0.007°
• Cell volume: 1277.6 ± 0.9 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: 0.0416
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No