Information card for entry 7242973

Structure parameters

• Formula: C14 H7 I3 N O6
• Calculated formula: C14 H7 I3 N O6
• Title of publication: A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium
• Authors of publication: Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 27
• Pages of publication: 4840 - 4847
• a: 8.9598 ± 0.0005 Å
• b: 21.9155 ± 0.0011 Å
• c: 9.5862 ± 0.0005 Å
• α: 90°
• β: 116.711 ± 0.001°
• γ: 90°
• Cell volume: 1681.46 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No