Information card for entry 4105506

Structure parameters

• Formula: C88 H117 Ag20 F15 Mo O14
• Calculated formula: C88 H117 Ag20 F15 Mo O14
• SMILES: [Mo]1(O[Ag]2(OC(=O)C(F)(F)F)[C]34[Ag]([C]5([Ag]67[Ag]85([Ag]5[C]98[Ag]8([O]%101[Ag]1%11[O]=C(O[Ag]%12%13%10[Ag]%10%14OC(=[O][Ag]%15([C]%11([Ag]%12[C]%13%10#CC(C)(C)C)#[C]%15C(C)(C)C)[C]%10([Ag][C]([Ag][C]7([Ag][C]2([Ag][C]2([Ag]7[C]%14([Ag][C]8([Ag]3)#CC(C)(C)C)#[C]7C(C)(C)C)[Ag]%10[C]2#C(C)(C)C)#CC(C)(C)C)#CC(C)(C)C)([Ag][C]51#CC(C)(C)C)#CC(C)(C)C)#CC(C)(C)C)C(F)(F)F)C(F)(F)F)[C]#9C(C)(C)C)[O]=C(O6)C(F)(F)F)#CC(C)(C)C)#[C]4C(C)(C)C)(=O)=O.O=C([O-])C(F)(F)F
• Title of publication: Acid-Induced Surface Functionalization of Polyoxometalate by Enclosure in a Polyhedral Silver-Alkynyl Cage
• Authors of publication: Guang-Gang Gao; Ping-Shing Cheng; Thomas C. W. Mak
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 18257 - 18259
• a: 14.3076 ± 0.0013 Å
• b: 15.8713 ± 0.0014 Å
• c: 28.861 ± 0.003 Å
• α: 91.321 ± 0.002°
• β: 90.098 ± 0.002°
• γ: 116.607 ± 0.002°
• Cell volume: 5857.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No