Information card for entry 4123910

Structure parameters

• Formula: C31 H26 Ag B F4 N2 O4
• Calculated formula: C31 H26 Ag B F4 N2 O4
• SMILES: [Ag]12([OH]C)([n]3c(N4C(=O)[C@@H]5[C@]6(O[C@@]([C@@H]5C4=O)(C4=C[CH]2=[CH]1C=C64)c1ccccc1)c1ccccc1)c(ccc3)C)[F][B](F)(F)F
• Title of publication: Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.
• Authors of publication: Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 25
• Pages of publication: 8014 - 8017
• a: 7.8853 ± 0.0007 Å
• b: 10.0185 ± 0.0009 Å
• c: 18.0908 ± 0.0016 Å
• α: 100.971 ± 0.003°
• β: 97.255 ± 0.003°
• γ: 95.175 ± 0.003°
• Cell volume: 1382.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No