Information card for entry 7106325

Structure parameters

• Chemical name: Tetrakis[3-isoquinolinyl-5-tertbutylpyrazolido]tetrasilver(I) hydrate (3/2.7)
• Formula: C64 H69.4 Ag4 N12 O2.7
• Calculated formula: C64 H64 Ag4 N12 O2.7
• Title of publication: New Insights into the Aggregation of Silver Pyrazolides Using Sterically Hindered Bidentate Pyrazole Ligands
• Authors of publication: James J. Henkelis; Colin A. Kilner; Malcolm A. Halcrow
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5187
• a: 18.6771 ± 0.0012 Å
• b: 44.784 ± 0.003 Å
• c: 17.1502 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14345 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No