Information card for entry 7249737

Structure parameters

• Formula: C43 H22 Cd2 F4 N6 O8
• Calculated formula: C43 H20 Cd2 F4 N6 O8
• Title of publication: A versatile luminescent metal–organic framework for selective detection of Fe(iii) cations and Cr(vi) anions
• Authors of publication: Fang, Han; Han, Jia-Peng; Zhang, Bo; Liu, Deng-Bo; Li, Xing-Wang; Li, Jing-Yu; He, Yutong; Yu, Mei-Hui
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1139 - 1145
• a: 28.2765 ± 0.0006 Å
• b: 17.2824 ± 0.0003 Å
• c: 27.3501 ± 0.0004 Å
• α: 90°
• β: 99.8503 ± 0.0018°
• γ: 90°
• Cell volume: 13168.6 ± 0.4 ų
• Cell temperature: 151 ± 12 K
• Ambient diffraction temperature: 151 ± 12 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No