Information card for entry 7103511

Structure parameters

• Formula: C80 H99 Ag19 Cl F21 O14
• Calculated formula: C80 H99 Ag19 Cl F21 O14
• SMILES: [Ag]1234567[Ag]89%10%11%12([Ag]%13%14%15%16%17%182[Ag]2%19%20%21%221[Ag]1%23%24%14([Ag]%14%25%26%27[Ag]%28%291(OC(=O)C(F)(F)F)([C]%24%14#CC(C)(C)C)[Ag]1%14%24%30%21[Ag]%21%31%32%33%34%35%20[Ag]%20%36%37%388%13[Ag]8%13%15([O]=C(C(F)(F)F)O%16)([C]%10%18%20#CC(C)(C)C)[Ag]%10%15%16%18%25[Ag]%20%258([Ag]8%32%37([Ag]%32%37%39%20([Ag]%20%281([Ag]%26%10%32([C]%27%18#CC(C)(C)C)[C]%39%20#CC(C)(C)C)[C]%29%30#CC(C)(C)C)[C]%258#[C]%37C(C)(C)C)([O]=C(C(F)(F)F)O%33)[C]%35%38([Ag]18%12%31%36([C]6%11(#CC(C)(C)C)[Ag]7%19%211([O]=C(C(F)(F)F)O8)([O]=C(C(F)(F)F)O4)[C]%22%14%34#[C]%24C(C)(C)C)[O]=C(C(F)(F)F)O9)#CC(C)(C)C)[C]%13%15#[C]%16C(C)(C)C)[C]5%172#[C]%23C(C)(C)C)[O]=C(C(F)(F)F)O3.[Cl-]
• Title of publication: Snowman-like silver alkynyl cluster consolidated by templating chloride and peripheral trifluoroacetates.
• Authors of publication: Bian, Shu-Dan; Wang, Quan-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5586 - 5588
• a: 14.5411 ± 0.0006 Å
• b: 27.4775 ± 0.0013 Å
• c: 15.021 ± 0.0006 Å
• α: 90°
• β: 115.516 ± 0.005°
• γ: 90°
• Cell volume: 5416.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2662
• Weighted residual factors for all reflections included in the refinement: 0.2801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No