Information card for entry 4311747

Structure parameters

• Formula: C38 H44 Ag2 Cl4 F6 N16 O6 S2
• Calculated formula: C38 H44 Ag2 Cl4 F6 N16 O6 S2
• SMILES: C12CCCC3n4ccc[n]4[Ag]4([n]5cccn5C(CCCC5n6ccc[n]6[Ag]([n]6cccn16)([n]1cccn21)[n]1cccn51)[n]1cccn41)[n]1n3ccc1.FC(F)(F)S(=O)(=O)[O-].C(Cl)Cl.FC(F)(F)S(=O)(=O)[O-].C(Cl)Cl
• Title of publication: Impact of Variations in Design of Flexible Bitopic Bis(pyrazolyl)methane Ligands and Counterions on the Structures of Silver(I) Complexes: Dominance of Cyclic Dimeric Architecture
• Authors of publication: Daniel L. Reger; Russell P. Watson; James R. Gardinier; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6609 - 6619
• a: 12.6354 ± 0.0006 Å
• b: 15.4554 ± 0.0008 Å
• c: 14.7501 ± 0.0007 Å
• α: 90°
• β: 112.436 ± 0.001°
• γ: 90°
• Cell volume: 2662.4 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No