Information card for entry 7250543

Structure parameters

• Formula: C11 H16 Cl N3 O2 S
• Calculated formula: C11 H16 Cl N3 O2 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: 15.1462 ± 0.0009 Å
• b: 9.073 ± 0.0005 Å
• c: 10.1184 ± 0.0006 Å
• α: 90°
• β: 90.108 ± 0.002°
• γ: 90°
• Cell volume: 1390.48 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• 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