Information card for entry 7135026

Structure parameters

• Formula: C60 H52 Cl1.5 Gd8.5 O86
• Calculated formula: C60 H52 Cl1.5 Gd8.5 O86
• Title of publication: Magnetic modulation and magnetocaloric effect of lanthanide porous organic frameworks with croconic acid.
• Authors of publication: Shao, Xueying; Yang, Yue; Dong, Xiaofang; Wang, Shen; Liang, Yulu; Liu, Zhongyi; Min, Hui; Wang, Yu-Xia; Cheng, Peng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 86
• Pages of publication: 16862 - 16865
• a: 21.8854 ± 0.0002 Å
• b: 21.8854 ± 0.0002 Å
• c: 7.7744 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3723.71 ± 0.07 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 83
• Hermann-Mauguin space group symbol: P 4/m
• Hall space group symbol: -P 4
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No