Information card for entry 2242596

Structure parameters

• Chemical name: Bis(quinolin-8-ol)silver(I) 2-hydroxy-3,5-dinitrobenzoate
• Formula: C25 H17 Ag N4 O9
• Calculated formula: C25 H17 Ag N4 O9
• SMILES: [Ag]([n]1cccc2cccc(O)c12)[n]1cccc2cccc(O)c12.Oc1c(N(=O)=O)cc(N(=O)=O)cc1C(=O)[O-]
• Title of publication: A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures
• Authors of publication: Fábry, Jan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 9
• Pages of publication: 1344 - 1357
• a: 9.0154 ± 0.0018 Å
• b: 7.6122 ± 0.0015 Å
• c: 17.138 ± 0.003 Å
• α: 90°
• β: 104.38 ± 0.03°
• γ: 90°
• Cell volume: 1139.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No