Information card for entry 7245016

Structure parameters

• Formula: C34 H31 N3 O22.5 Sm2
• Calculated formula: C34 H23 N3 O18.5 Sm2
• Title of publication: In situ ligand-induced Ln-MOFs based on a chromophore moiety: white light emission and turn-on detection of trace antibiotics
• Authors of publication: Feng, Xun; Shang, Yapei; Zhang, Ka; Hong, Manzhou; Li, Junfeng; Xu, Hongdi; Wang, Liya; Li, Zhongjun
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 17.4522 ± 0.0005 Å
• b: 31.6114 ± 0.0007 Å
• c: 18.0196 ± 0.0003 Å
• α: 90°
• β: 107.351 ± 0.002°
• γ: 90°
• Cell volume: 9488.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No