Information card for entry 1514769

Structure parameters

• Formula: C67 H101 Ag2 F3 N4 O6 S
• Calculated formula: C67 H93 Ag2 F3 N4 O6 S
• SMILES: [Ag]([O]([Ag]=C1N(c2c(C(C)C)cccc2C(C)C)CCN1c1c(C(C)C)cccc1C(C)C)C(C)(C)C)=C1N(c2c(cccc2C(C)C)C(C)C)CCN1c1c(cccc1C(C)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F.O1CCCC1.O1CCCC1
• Title of publication: A dinuclear silver hydride and an umpolung reaction of CO2
• Authors of publication: Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 3068
• a: 10.5882 ± 0.0011 Å
• b: 16.8592 ± 0.0017 Å
• c: 20.8 ± 0.002 Å
• α: 74.883 ± 0.001°
• β: 79.955 ± 0.001°
• γ: 76.103 ± 0.001°
• Cell volume: 3454.7 ± 0.6 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: 0.0859
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No