Information card for entry 4348289

Structure parameters

• Formula: C36 H33 I11 N12 O5
• Calculated formula: C36 H33 I11 N12 O5
• SMILES: c1c[nH+]ccc1c1nnc(o1)c1cc[nH+]cc1.c1cnccc1c1nnc(o1)c1cc[nH+]cc1.c1c[nH+]ccc1c1nnc(o1)c1cc[nH+]cc1.I[I-]I.I[I-]I.I[I-]I.[I-].[I-].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: 10.637 ± 0.002 Å
• b: 13.967 ± 0.003 Å
• c: 21.237 ± 0.004 Å
• α: 82.92 ± 0.03°
• β: 76.08 ± 0.03°
• γ: 69.64 ± 0.03°
• Cell volume: 2868.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1059
• 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