Information card for entry 4109096

Structure parameters

• Formula: C158 H196 Cl2 N8 O10 P8 Pt4
• Calculated formula: C164 H174 Cl8 N4 O20 P8 Pt4
• SMILES: c1c2cc3c(ccc4ccc(cc34)[Pt]([n]3ccc(cc3)C#Cc3cc(C#Cc4ccc(cc4)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c4ccc5ccc6ccc(cc6c5c4)[Pt]([n]4ccc(C#Cc5cc(C#Cc6ccc(cc6)[Pt]2([P](CC)(CC)CC)[P](CC)(CC)CC)cc(OCc2cc(OCc6ccccc6)cc(OCc6ccccc6)c2)c5)cc4)([P](CC)(CC)CC)[P](CC)(CC)CC)cc(OCc2cc(OCc4ccccc4)cc(OCc4ccccc4)c2)c3)([P](CC)(CC)CC)[P](CC)(CC)CC)c1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.C(Cl)Cl.C(Cl)Cl.O.O.O.O.C(Cl)Cl.C(Cl)Cl
• 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: 14.111 ± 0.003 Å
• b: 14.348 ± 0.003 Å
• c: 26.476 ± 0.005 Å
• α: 79.705 ± 0.003°
• β: 78.901 ± 0.003°
• γ: 76.468 ± 0.003°
• Cell volume: 5063.7 ± 1.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1652
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.2695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No