Information card for entry 4305680

Structure parameters

• Formula: C129 H99 Ag4 Cl12 F12 N O14 P8 S4 Sn
• Calculated formula: C127 H97 Ag4 Cl6 F12 N O14 P8 S4 Sn
• SMILES: c12cc3cc(c1)[P](c1ccccc1)(c1ccccc1)[Ag]([P](c1cc4cc(c1)[P](c1ccccc1)(c1ccccc1)[Ag]([P](c1cc5cc(c1)[Sn]24c1cc(cc(c1)[P](c1ccccc1)(c1ccccc1)[Ag]1([P]3(c2ccccc2)c2ccccc2)[O]=S(=O)(C(F)(F)F)O1)[P](c1ccccc1)(c1ccccc1)[Ag]1([P]5(c2ccccc2)c2ccccc2)[O]=S(C(F)(F)F)(=O)O1)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.CN(=O)=O
• Title of publication: The Cyclic "Silver-Diphos" Motif [Ag2(μ-diphosphine)2]2+ as a Synthon for Building up Larger Structures
• Authors of publication: Philip W. Miller; Mark Nieuwenhuyzen; Jonathan P. H. Charmant; Stuart L. James
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8367 - 8379
• a: 21.3377 ± 0.001 Å
• b: 20.4212 ± 0.0012 Å
• c: 32.4782 ± 0.0015 Å
• α: 90°
• β: 92.92 ± 0.003°
• γ: 90°
• Cell volume: 14133.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No