Information card for entry 4024851

Structure parameters

• Formula: C109 H162 O11 P8 Pt4
• Calculated formula: C109 H162 O11 P8 Pt4
• SMILES: [Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)OC(=O)c2cc(OCc3ccccc3)cc(C(=O)O[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c3ccc4ccc5ccc([Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)OC(=O)c6cc(C(=O)O[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c7ccc8ccc9ccc1cc9c8c7)cc(OCc1ccccc1)c6)cc5c4c3)c2.O=C(C)C
• Title of publication: Facile Self-Assembly of Neutral Dendritic Metallocycles via Oxygen-to-Platinum Coordination
• Authors of publication: Hai-Bo Yang; Brian H. Northrop; Yao-Rong Zheng; Koushik Ghosh; Peter J. Stang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7067 - 7074
• a: 15.5715 ± 0.0003 Å
• b: 14.5131 ± 0.0004 Å
• c: 25.4337 ± 0.0004 Å
• α: 90°
• β: 99.93 ± 0.0012°
• γ: 90°
• Cell volume: 5661.7 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1162
• 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