Information card for entry 7121865

Structure parameters

• Common name: Zr6(sdba)4(μ3-O)4(μ3-OH)4(HCOO)4(H2O)4
• Chemical name: LMOF-601
• Formula: C57.18 H44.44 O40 S4 Zr6
• Calculated formula: C57.18 H34.9 O40 S4 Zr6
• Title of publication: A robust two-dimensional zirconium-based luminescent coordination polymer built on a V-shaped dicarboxylate ligand for vapor phase sensing of volatile organic compounds.
• Authors of publication: Du, Pei-Yao; Lustig, William P.; Teat, Simon J.; Gu, Wen; Liu, Xin; Li, Jing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 58
• Pages of publication: 8088 - 8091
• a: 23.3559 ± 0.0006 Å
• b: 23.3559 ± 0.0006 Å
• c: 26.7429 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14588.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No