Information card for entry 7106889

Structure parameters

• Formula: C45 H38 Au2 F6 N4 O4 P2 S2
• Calculated formula: C45 H38 Au2 F6 N4 O4 P2 S2
• SMILES: [Au](Sc1[nH]c2ccccc2n1)[P](c1ccccc1)(c1ccccc1)CCC[P](c1ccccc1)(c1ccccc1)[Au]Sc1nc2ccccc2[nH]1.FC(F)(F)C(=O)O.FC(F)(F)C(=O)O
• Title of publication: Luminescence on-off switching via reversible interconversion between inter- and intramolecular aurophilic interactions
• Authors of publication: Semi Han; Yu Young Yoon; Ok-Sang Jung; Young-A Lee
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10689
• a: 16.081 ± 0.002 Å
• b: 16.247 ± 0.002 Å
• c: 18.831 ± 0.003 Å
• α: 90°
• β: 108.078 ± 0.003°
• γ: 90°
• Cell volume: 4677.1 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.101
• 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