Information card for entry 7240681

Structure parameters

• Formula: C19 H12 Ca0.5 O10 Zn
• Calculated formula: C19 H12 Ca0.5 O10 Zn
• Title of publication: Design of a heterometallic Zn/Ca-MOF decorated by alkoxy on the pore surface exhibiting high fluorescence sensing performance for Fe3+ and Cr2O72−
• Authors of publication: Ji, Wen-Juan; Liu, Gui-Fang; Wang, Binqiang; Lu, Wenbo; Zhai, Quan-Guo
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 27.761 ± 0.003 Å
• b: 15.927 ± 0.002 Å
• c: 13.7189 ± 0.0017 Å
• α: 90°
• β: 116.167 ± 0.002°
• γ: 90°
• Cell volume: 5444.1 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No