Information card for entry 4511268

Structure parameters

• Formula: C32 H38 Ag2 N12 O6
• Calculated formula: C32 H38 Ag2 N12 O6
• SMILES: c1(cc(C)[n]2n1C1c3cc[n]([Ag]4([n]5c(cc(C)n5C(n5c(cc(C)[n]45)C)c4cc[n]([Ag]2(ON(=O)=O)[n]2c(cc(n12)C)C)cc4)C)ON(=O)=O)cc3)C
• Title of publication: Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution
• Authors of publication: Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3510
• a: 8.8841 ± 0.0001 Å
• b: 18.3185 ± 0.0002 Å
• c: 12.7543 ± 0.0002 Å
• α: 90°
• β: 99.527 ± 0.001°
• γ: 90°
• Cell volume: 2047.05 ± 0.05 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No