Information card for entry 7250021

Structure parameters

• Formula: C126 H86 Ce2 N18 O25
• Calculated formula: C126 H86 Ce2 N18 O25
• 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: 17.3238 ± 0.0003 Å
• b: 18.1345 ± 0.0004 Å
• c: 18.2145 ± 0.0004 Å
• α: 87.982 ± 0.002°
• β: 83.51 ± 0.002°
• γ: 77.24 ± 0.002°
• Cell volume: 5544.8 ± 0.2 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: 0.0645
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No