Information card for entry 4335427

Structure parameters

• Common name: CH2Cl2@[Ag4(tppepb)4]I4
• Formula: C266 H184 Ag4 Cl4 I4 P12
• Calculated formula: C266 H184 Ag4 Cl4 I4 P12
• SMILES: [Ag]12(I)[P](c3ccccc3)(c3ccccc3)C#Cc3ccc(cc3)c3cc4c5ccc(cc5)C#C[P](c5ccccc5)(c5ccccc5)[Ag]5(I)[P](c6ccccc6)(c6ccccc6)C#Cc6ccc(cc6)c6cc(cc(c6)c6ccc(cc6)C#C[P]1(c1ccccc1)c1ccccc1)c1ccc(cc1)C#C[P](c1ccccc1)(c1ccccc1)[Ag]1(I)[P](c6ccccc6)(c6ccccc6)C#Cc6ccc(cc6)c6cc(c7ccc(cc7)C#C[P]5(c5ccccc5)c5ccccc5)cc(c6)c5ccc(cc5)C#C[P](c5ccccc5)(c5ccccc5)[Ag](I)([P](c5ccccc5)(C#Cc5ccc(c(c4)c3)cc5)c3ccccc3)[P](c3ccccc3)(c3ccccc3)C#Cc3ccc(cc3)c3cc(c4ccc(cc4)C#C[P]2(c2ccccc2)c2ccccc2)cc(c3)c2ccc(cc2)C#C[P]1(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• Title of publication: Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates
• Authors of publication: Sang Ho Lim; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7862 - 7872
• a: 21.783 ± 0.004 Å
• b: 31.274 ± 0.006 Å
• c: 31.425 ± 0.006 Å
• α: 60.195 ± 0.007°
• β: 81.689 ± 0.007°
• γ: 73.616 ± 0.006°
• Cell volume: 17822 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No