Information card for entry 7241693

Structure parameters

• Formula: C30 H27 N9 O18 Sm2
• Calculated formula: C30 H27 N9 O18 Sm2
• Title of publication: Two Ln-based metal‒organic frameworks based on the 5-(1H-1,2,4-triazol-1-yl)-1,3-benzenedicarboxylic acid ligand: syntheses, structures, and photocatalytic properties
• Authors of publication: Yuan, Fei; Yuan, Chunmei; Cao, Baoyue; Di, Youying; Wang, Shumin; Liu, Mingbao; Kumar, Abhinav; Shi, Chuncheng; Muddassir, Mohd.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 65
• Pages of publication: 39771 - 39778
• a: 9.9847 ± 0.0008 Å
• b: 13.2497 ± 0.001 Å
• c: 14.3535 ± 0.0011 Å
• α: 81.6299 ± 0.0012°
• β: 73.8538 ± 0.001°
• γ: 83.2186 ± 0.0011°
• Cell volume: 1798.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No