Information card for entry 4501062

Structure parameters

• Chemical name: quinolinium picrate
• Formula: C15 H10 N4 O7
• Calculated formula: C15 H10 N4 O7
• SMILES: [nH+]1c2ccccc2ccc1.N(=O)(=O)c1cc(N(=O)=O)cc(c1[O-])N(=O)=O
• Title of publication: Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks
• Authors of publication: Stilinović, Vladimir; Kaitner, Branko
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 4110
• a: 12.4255 ± 0.0005 Å
• b: 6.8019 ± 0.0003 Å
• c: 17.9141 ± 0.0009 Å
• α: 90°
• β: 95.388 ± 0.004°
• γ: 90°
• Cell volume: 1507.36 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No