Information card for entry 7250540

Structure parameters

• Formula: C11 H8 Cl F N2 S
• Calculated formula: C11 H8 Cl F N2 S
• Title of publication: Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature
• Authors of publication: Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 25
• Pages of publication: 4351 - 4359
• a: 6.0518 ± 0.0001 Å
• b: 7.0245 ± 0.0002 Å
• c: 13.5533 ± 0.0003 Å
• α: 88.682 ± 0.001°
• β: 80.727 ± 0.001°
• γ: 74.433 ± 0.001°
• Cell volume: 547.65 ± 0.02 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No