Information card for entry 4104014

Structure parameters

• Formula: C98 H148 Ag19 B F4 O4
• Calculated formula: C98 H144 Ag19 B F4 O4
• SMILES: [Ag]12[C]34[Ag][C]5([Ag]6[C]7([Ag]89%10[Ag]%11%12%13[Ag]%14%15([Ag]%16%17([Ag]%18[C]%19([Ag]%203([O]=C3O[Ag]%21%22%23[Ag]%24([Ag]%19([C]%23%24#CC(C)(C)C)[C]%19([Ag]%23[Ag]([C]9%21#CC(C)(C)C)[C]%23([Ag]%11([O]%163)([C]%10%13#CC(C)(C)C)[C]%14([Ag][C]([Ag]%19[C]%17%18#CC(C)(C)C)#CC(C)(C)C)#CC(C)(C)C)#CC(C)(C)C)#CC(C)(C)C)[C]%20([Ag]35[C]%22([Ag]78)#[C]3C(C)(C)C)#CC(C)(C)C)[C]1#4C(C)(C)C)#CC(C)(C)C)[C]2%15#CC(C)(C)C)[C]6%12#CC(C)(C)C)#CC(C)(C)C)#CC(C)(C)C.[B](F)(F)(F)[F-].OC
• Title of publication: High-Nuclearity Silver Clusters Templated by Carbonates Generated from Atmospheric Carbon Dioxide Fixation
• Authors of publication: Shu-Dan Bian; Jian-Hua Jia; Quan-Ming Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3422 - 3423
• a: 21.7271 ± 0.0004 Å
• b: 15.8981 ± 0.0002 Å
• c: 34.0433 ± 0.0005 Å
• α: 90°
• β: 93.151 ± 0.002°
• γ: 90°
• Cell volume: 11741.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1668
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No