Information card for entry 7011135

Structure parameters

• Formula: C35 H28 P2 Pt
• Calculated formula: C35 H28 P2 Pt
• SMILES: [Pt]1(C#CC#C)(C#CC#C)[P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1
• Title of publication: Preparation of buta-1,3-diynyl complexes of platinum(II) and their use in the construction of neutral molecular squares: synthesis, structural and theoretical characterisation of cyclo-{Pt(μ-CCCC)(dppe)}4 and related chemistry
• Authors of publication: Michael I. Bruce; Karine Costuas; Jean-François Halet; Ben C. Hall; Paul J. Low; Brian K. Nicholson; Brian W. Skelton; Allan H. White
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 383 - 398
• a: 9.683 ± 0.004 Å
• b: 22.496 ± 0.005 Å
• c: 12.993 ± 0.004 Å
• α: 90°
• β: 93.65 ± 0.03°
• γ: 90°
• Cell volume: 2824.5 ± 1.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.069
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections: 0.98
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No