Information card for entry 7250020

Structure parameters

• Formula: C21 H15 N3 O4
• Calculated formula: C21 H15 N3 O4
• Title of publication: Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs
• Authors of publication: Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 2175 - 2189
• a: 8.8372 ± 0.0003 Å
• b: 26.8331 ± 0.0012 Å
• c: 7.5381 ± 0.0003 Å
• α: 90°
• β: 94.605 ± 0.003°
• γ: 90°
• Cell volume: 1781.74 ± 0.12 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: 0.0663
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No