Information card for entry 7706429

Structure parameters

• Formula: C20 H28 Li N3 O11 S2 Zn
• Calculated formula: C20.001 H26.001 Li N3 O10.001 S2 Zn
• Title of publication: Heterometallic MOFs constructed from thiophene and furandicarboxylate ligands for heavy metal luminescence sensing.
• Authors of publication: Sapianik, Aleksandr A.; Barsukova, Marina O.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Fedin, Vladimir P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 2807 - 2814
• a: 17.1879 ± 0.0003 Å
• b: 21.852 ± 0.0004 Å
• c: 18.7739 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7051.3 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No