Information card for entry 7028116

Structure parameters

• Formula: C18 H18 Ag B F4 N6 O3
• Calculated formula: C18 H18 Ag B F4 N6 O3
• SMILES: [Ag]([n]1ccc(cc1)C(=O)N)([n]1ccc(cc1)C(=O)N)[n]1ccc(cc1)C(=O)N.[B](F)(F)(F)[F-]
• Title of publication: Two-fold interpenetration of 3-D nets assembled via three-co-ordinate silver(I) ions and amide–amide hydrogen bonds
• Authors of publication: Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 12
• Pages of publication: 1943
• a: 6.9461 ± 0.0006 Å
• b: 18.108 ± 0.002 Å
• c: 16.897 ± 0.002 Å
• α: 90°
• β: 97.88 ± 0.006°
• γ: 90°
• Cell volume: 2105.2 ± 0.4 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: 0.0368
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for all reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.0791
• Goodness-of-fit parameter for all reflections: 1.151
• Goodness-of-fit parameter for significantly intense reflections: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No