Information card for entry 4111617

Structure parameters

• Formula: C60 H52 P4 Pt2
• Calculated formula: C60 H52 P4 Pt2
• SMILES: [Pt]1([P](C#CC#C[P]([Pt]([P](C#CC#C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C)C
• Title of publication: Metal-Templated Diyne Cyclodimerization and Cyclotrimerization
• Authors of publication: Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 5038 - 5039
• a: 18.2966 ± 0.0013 Å
• b: 15.3838 ± 0.0011 Å
• c: 19.0807 ± 0.0014 Å
• α: 90°
• β: 103.864 ± 0.001°
• γ: 90°
• Cell volume: 5214.2 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No