Information card for entry 4073902

Structure parameters

• Formula: C28 H39 Br P2 Pt
• Calculated formula: C28 H39 Br P2 Pt
• SMILES: [Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccc2ccc3cccc4ccc1c2c34
• 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: 13.4514 ± 0.0006 Å
• b: 14.2834 ± 0.0006 Å
• c: 14.9128 ± 0.0007 Å
• α: 90°
• β: 100.568 ± 0.001°
• γ: 90°
• Cell volume: 2816.6 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No