Information card for entry 7250541

Structure parameters

• Formula: C12 H11 Cl N2 O S
• Calculated formula: C12 H11 Cl N2 O 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: 8.6332 ± 0.0005 Å
• b: 6.0348 ± 0.0003 Å
• c: 46.857 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2441.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• 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