Information card for entry 7048984

Structure parameters

• Formula: C49 H16 Au2 Cl2 F26 N2 O2
• Calculated formula: C49 H16 Au2 Cl2 F26 N2 O2
• Title of publication: Towards blue emitting monocyclometalated gold(iii) complexes - synthesis, characterization and photophysical investigations.
• Authors of publication: Bachmann, Michael; Fessler, Reto; Blacque, Olivier; Venkatesan, Koushik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7320 - 7330
• a: 7.52497 ± 0.0001 Å
• b: 20.3047 ± 0.0003 Å
• c: 17.2623 ± 0.0003 Å
• α: 90°
• β: 91.7787 ± 0.0012°
• γ: 90°
• Cell volume: 2636.27 ± 0.07 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 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: 0.0329
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No