Information card for entry 4087090

Structure parameters

• Common name: 6 [Ag(NHC(Me)-py(OtBu))2]OTf
• Formula: C27 H34 Ag F3 N6 O5 S
• Calculated formula: C27 H34 Ag F3 N6 O5 S
• SMILES: [Ag](=C1N(C)C=CN1c1nc(OC(C)(C)C)ccc1)=C1N(C)C=CN1c1nc(OC(C)(C)C)ccc1.S(=O)(=O)([O-])C(F)(F)F
• 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: 11.8359 ± 0.0003 Å
• b: 11.9882 ± 0.0003 Å
• c: 12.8751 ± 0.0004 Å
• α: 70.365 ± 0.001°
• β: 81.733 ± 0.001°
• γ: 63.219 ± 0.001°
• Cell volume: 1536.01 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No