Information card for entry 7114273

Structure parameters

• Formula: C40 H28 Ag4 F12 N12 O12 S4
• Calculated formula: C40 H28 Ag4 F12 N12 O12 S4
• SMILES: c1[n]2ccc3[n]1[Ag]1([n]4c[n]([Ag]([n]5c[n]6c(cc5)c5cccc[n]5[Ag]56([n]6c[n]([Ag]2OS(=O)(=O)C(F)(F)F)ccc6c2[n]5cccc2)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)ccc4c2[n]1cccc2)(OS(=O)(=O)C(F)(F)F)[n]1c3cccc1
• Title of publication: Molecular squares, rectangles and infinite helical chains utilising the simple ???corner??? ligand 4-(2-pyridyl)-pyrimidine
• Authors of publication: Beauchamp, Derek A.; Loeb, Stephen J.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 2484
• a: 10.1267 ± 0.0013 Å
• b: 10.4529 ± 0.0014 Å
• c: 13.5037 ± 0.0019 Å
• α: 81.403 ± 0.002°
• β: 72.533 ± 0.002°
• γ: 89.41 ± 0.002°
• Cell volume: 1347.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1422
• 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: Yes
• Has Fobs: No