Information card for entry 4348287

Structure parameters

• Formula: C12 H14 N6 O9
• Calculated formula: C12 H14 N6 O9
• SMILES: c1c[nH+]ccc1c1nnc(o1)c1cc[nH+]cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks
• Authors of publication: Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 263
• a: 7.4845 ± 0.0015 Å
• b: 18.648 ± 0.004 Å
• c: 11.768 ± 0.002 Å
• α: 90°
• β: 90.46 ± 0.03°
• γ: 90°
• Cell volume: 1642.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1196
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1657
• 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: No
• Has Fobs: No