Information card for entry 4087091

Structure parameters

• Common name: 7 [Ag(NHC(Me)-py(OMe))2]OTf
• Formula: C21 H22 Ag F3 N6 O5 S
• Calculated formula: C21 H22 Ag F3 N6 O5 S
• SMILES: CN1C=CN(C1=[Ag]=C1N(C)C=CN1c1cccc(n1)OC)c1cccc(n1)OC.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Iridium and Ruthenium Complexes of N-Heterocyclic Carbene- and Pyridinol-Derived Chelates as Catalysts for Aqueous Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation: The Role of the Alkali Metal
• Authors of publication: Siek, Sopheavy; Burks, Dalton B.; Gerlach, Deidra L.; Liang, Guangchao; Tesh, Jamie M.; Thompson, Courtney R.; Qu, Fengrui; Shankwitz, Jennifer E.; Vasquez, Robert M.; Chambers, Nicole; Szulczewski, Gregory J.; Grotjahn, Douglas B.; Webster, Charles Edwin; Papish, Elizabeth T.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 6
• Pages of publication: 1091
• a: 7.2377 ± 0.0002 Å
• b: 12.3949 ± 0.0004 Å
• c: 14.7323 ± 0.0005 Å
• α: 72.946 ± 0.001°
• β: 77.672 ± 0.001°
• γ: 77.664 ± 0.001°
• Cell volume: 1218.15 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0232
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No