Information card for entry 4508124

Structure parameters

• Formula: C54 H44 Ag2 F6 N16 O6 S2
• Calculated formula: C54 H44 Ag2 F6 N16 O6 S2
• SMILES: c12c(cccc1)C1n3ccc[n]3[Ag](OS(=O)(=O)C(F)(F)F)([n]3cccn3C(c3c2cccc3)n2cccn2)[n]2cccn2C2c3c(cccc3)c3c(cccc3)C(n3ccc[n]3[Ag]([n]3cccn13)(OS(=O)(=O)C(F)(F)F)[n]1cccn21)n1cccn1
• Title of publication: Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.
• Authors of publication: Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3864
• a: 16.251 ± 0.0006 Å
• b: 18.0786 ± 0.0007 Å
• c: 18.6411 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5476.7 ± 0.3 ų
• Cell temperature: 100.05 ± 0.1 K
• Ambient diffraction temperature: 100.05 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No