Information card for entry 7106888

Structure parameters

• Formula: C43.5 H47 Au2 N4 O3 P2 S2
• Calculated formula: C43.5 H46 Au2 N4 O3 P2 S2
• 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: 8.379 ± 0.001 Å
• b: 20.249 ± 0.002 Å
• c: 25.948 ± 0.003 Å
• α: 90°
• β: 90.475 ± 0.003°
• γ: 90°
• Cell volume: 4402.4 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No