Information card for entry 4109095

Structure parameters

• Formula: C130 H172 N8 O6 P8 Pt4
• Calculated formula: C130 H170 N8 O14 P8 Pt4
• SMILES: N(=O)(=O)[O-].N(=O)(=O)[O-].C1#Cc2cc[n](cc2)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c2ccc3ccc4ccc(cc4c3c2)[Pt]([n]2ccc(cc2)C#Cc2cc(cc(OCc3ccccc3)c2)C#Cc2cc[n](cc2)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c2ccc3ccc4ccc(cc4c3c2)[Pt]([n]2ccc(cc2)C#Cc2cc1cc(OCc1ccccc1)c2)([P](CC)(CC)CC)[P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Coordination-Driven Self-Assembly of Metallodendrimers Possessing Well-Defined and Controllable Cavities as Cores
• Authors of publication: Hai-Bo Yang; Adam M. Hawkridge; Songping D. Huang; Neeladri Das; Scott D. Bunge; David C. Muddiman; Peter J. Stang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2120 - 2129
• a: 10.05 ± 0.002 Å
• b: 18.319 ± 0.004 Å
• c: 21.396 ± 0.005 Å
• α: 76.932 ± 0.004°
• β: 80.904 ± 0.004°
• γ: 78.553 ± 0.004°
• Cell volume: 3734.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2095
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No