Information card for entry 1514770

Structure parameters

• Formula: C63 H93 Ag2 F3 N4 O5 S
• Calculated formula: C63 H93 Ag2 F3 N4 O5 S
• SMILES: [Ag]([H][Ag]=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].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: 14.8245 ± 0.0014 Å
• b: 23.508 ± 0.002 Å
• c: 19.9054 ± 0.0019 Å
• α: 90°
• β: 110.118 ± 0.001°
• γ: 90°
• Cell volume: 6513.7 ± 1 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1406
• 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: Yes
• Has Fobs: No