Information card for entry 7030966

Structure parameters

• Formula: C35 H31 Au F4 N2 O
• Calculated formula: C35 H31 Au F4 N2 O
• SMILES: [Au](=C(Nc1ccc2c3c1cccc3c1c3c2cccc3ccc1)N(CC)CC)c1c(c(c(c(c1F)F)OCCCC)F)F
• 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: 12.312 ± 0.003 Å
• b: 18.978 ± 0.004 Å
• c: 13.736 ± 0.003 Å
• α: 90°
• β: 106.512 ± 0.004°
• γ: 90°
• Cell volume: 3077.2 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No