Information card for entry 1556135

Structure parameters

• Formula: C45 H28 Au2 Cl4 O4 P2
• Calculated formula: C45 H28 Au2 Cl4 O4 P2
• Title of publication: Benzofuran-fused phosphole: synthesis, electronic, and electroluminescence properties.
• Authors of publication: Chen, Hui; Delaunay, Wylliam; Li, Jing; Wang, Zuoyong; Bouit, Pierre-Antoine; Tondelier, Denis; Geffroy, Bernard; Mathey, François; Duan, Zheng; Réau, Régis; Hissler, Muriel
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 330 - 333
• a: 10.834 ± 0.003 Å
• b: 20.925 ± 0.005 Å
• c: 17.732 ± 0.004 Å
• α: 90°
• β: 93.784 ± 0.01°
• γ: 90°
• Cell volume: 4011.1 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No