Information card for entry 4504621

Structure parameters

• Chemical name: bis(6,7-dicyanodipyridoquinoxaline)silver(I) triflate
• Formula: C33 H12 Ag F3 N12 O3 S
• Calculated formula: C33 H12 Ag F3 N12 O3 S
• SMILES: [Ag]12([n]3cccc4c3c3[n]1cccc3c1nc(C#N)c(nc41)C#N)[n]1cccc3c1c1[n]2cccc1c1nc(C#N)c(nc31)C#N.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions
• Authors of publication: Stephenson, Maria D.; Hardie, Michaele J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 423
• a: 9.112 ± 0.0001 Å
• b: 19.807 ± 0.0003 Å
• c: 18.39 ± 0.0004 Å
• α: 90°
• β: 105.99 ± 0.001°
• γ: 90°
• Cell volume: 3190.64 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No