Information card for entry 4073900

Structure parameters

• Formula: C53 H40 Au2 Cl2 P2
• Calculated formula: C53 H40 Au2 Cl2 P2
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc2ccc3ccc([Au][P](c4ccccc4)(c4ccccc4)c4ccccc4)c4ccc1c2c34.C(Cl)Cl
• Title of publication: Attaching Gold and Platinum to the Rim of Pyrene: A Synthetic and Spectroscopic Study
• Authors of publication: Heng, Wendy Yuqing; Hu, Jian; Yip, John H. K.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6760
• a: 7.0423 ± 0.0006 Å
• b: 11.6307 ± 0.001 Å
• c: 55.107 ± 0.005 Å
• α: 90°
• β: 90.598 ± 0.002°
• γ: 90°
• Cell volume: 4513.4 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0828
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No