Information card for entry 7240965

Structure parameters

• Formula: C14.5 H18.5 Mg N1.5 O6.5 S2
• Calculated formula: C14.5 H18.5 Mg N1.5 O6.5 S2
• Title of publication: Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+
• Authors of publication: Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 10.759 ± 0.002 Å
• b: 19.33 ± 0.004 Å
• c: 12.307 ± 0.003 Å
• α: 90°
• β: 100.26 ± 0.03°
• γ: 90°
• Cell volume: 2518.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1944
• Residual factor for significantly intense reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.3159
• Weighted residual factors for all reflections included in the refinement: 0.3707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No