Information card for entry 4348288

Structure parameters

• Formula: C12 H11 N4 O5 P
• Calculated formula: C12 H11 N4 O5 P
• SMILES: c1c[nH+]ccc1c1nnc(o1)c1cc[nH+]cc1.P(=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: 14.716 ± 0.003 Å
• b: 17.249 ± 0.003 Å
• c: 10.967 ± 0.002 Å
• α: 90°
• β: 94.24 ± 0.03°
• γ: 90°
• Cell volume: 2776.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No