Information card for entry 4106498

Structure parameters

• Formula: C33 H22 Au F6 N2 P
• Calculated formula: C33 H22 Au F6 N2 P
• SMILES: [Au]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c3ccccc3ccc2c2n1c(cc2C(F)(F)F)C(F)(F)F
• Title of publication: Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices
• Authors of publication: Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12085 - 12099
• a: 13.9852 ± 0.0004 Å
• b: 10.6777 ± 0.0004 Å
• c: 38.8186 ± 0.0014 Å
• α: 90°
• β: 97.035 ± 0.001°
• γ: 90°
• Cell volume: 5753.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No