Information card for entry 7105911

Structure parameters

• Formula: C124 H120 Ag8 Cl4 N12 O16 P8
• Calculated formula: C124 H120 Ag8 Cl4 N12 O16 P8
• SMILES: [Ag]12[Ag]([P](c3ccccc3)(c3ccccc3)C[P]1(c1ccccc1)c1ccccc1)Nc1[n]2c(cc(C)n1)C.[O-]Cl(=O)(=O)=O
• Title of publication: Simultaneous self-Cassembly of a cage-Clike silver(I) complex encapsulating an Ag6 neutral cluster core and carbon dioxide fixation
• Authors of publication: Di Sun; Geng-Geng Luo; Na Zhang; Rong-Bin Huang; Lan-Sun Zheng
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1461
• a: 12.67 ± 0.003 Å
• b: 16.694 ± 0.003 Å
• c: 30.99 ± 0.006 Å
• α: 90°
• β: 91.75 ± 0.03°
• γ: 90°
• Cell volume: 6552 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No