Information card for entry 4073903

Structure parameters

• Formula: C40 H68 Br2 P4 Pt2
• Calculated formula: C40 H68 Br2 P4 Pt2
• SMILES: c1(ccc2c3c1ccc1ccc(c(c31)cc2)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)Br)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)Br
• 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: 8.8737 ± 0.0005 Å
• b: 15.8737 ± 0.0009 Å
• c: 16.0938 ± 0.0009 Å
• α: 90°
• β: 105.402 ± 0.001°
• γ: 90°
• Cell volume: 2185.5 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No