Information card for entry 4106497

Structure parameters

• Formula: C35 H24 Au F6 N2 P
• Calculated formula: C35 H24 Au F6 N2 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)n1c(cc(c1c1nc(ccc1)c1ccccc1)C(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: 10.3486 ± 0.0005 Å
• b: 11.5288 ± 0.0005 Å
• c: 13.3285 ± 0.0006 Å
• α: 83.087 ± 0.001°
• β: 85.517 ± 0.001°
• γ: 76.607 ± 0.001°
• Cell volume: 1533.61 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No