Information card for entry 4106494

Structure parameters

• Formula: C55 H41 Cl4 Cu F6 N2 O P2
• Calculated formula: C55 H41 Cl4 Cu F6 N2 O P2
• SMILES: [Cu]12([P](c3ccccc3Oc3ccccc3[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)n1c(cc(c1c1[n]2c(ccc1)c1ccccc1)C(F)(F)F)C(F)(F)F.C(Cl)Cl.C(Cl)Cl
• 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: 13.9226 ± 0.0009 Å
• b: 20.2681 ± 0.0012 Å
• c: 18.113 ± 0.001 Å
• α: 90°
• β: 90.146 ± 0.001°
• γ: 90°
• Cell volume: 5111.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No