Information card for entry 4114362

Structure parameters

• Formula: C86 H142 Cl6 O8 P8 Pt4
• Calculated formula: C86 H142 Cl6 O8 P8 Pt4
• SMILES: O=C1/C=C/C(=O)O[Pt]([P](CC)(CC)CC)(c2cccc3cc4cccc(c4cc23)[Pt](OC(=O)/C=C/C(=O)O[Pt](c2cccc3cc4cccc([Pt]([P](CC)(CC)CC)(O1)[P](CC)(CC)CC)c4cc23)([P](CC)(CC)CC)[P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC)[P](CC)(CC)CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Facile Self-Assembly of Predesigned Neutral 2D Pt-Macrocycles via a New Class of Rigid Oxygen Donor Linkers
• Authors of publication: Neeladri Das; Partha Sarathi Mukherjee; Atta M. Arif; Peter J. Stang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13950 - 13951
• a: 16.5367 ± 0.0003 Å
• b: 14.5788 ± 0.0003 Å
• c: 22.3754 ± 0.0003 Å
• α: 90°
• β: 110.644 ± 0.001°
• γ: 90°
• Cell volume: 5047.99 ± 0.16 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.1072
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2684
• Weighted residual factors for all reflections included in the refinement: 0.2759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No