Information card for entry 7708511

Structure parameters

• Formula: C156 H116 N10 O26 Pr4 S6
• Calculated formula: C156 H116 N10 O26 Pr4 S6
• Title of publication: New Ln-MOFs based on mixed organic ligands: synthesis, structure and efficient luminescence sensing of the Hg2+ ion in aqueous solutions
• Authors of publication: Wang, Shu-ju; Li, Qian; Xiu, Guan-Lin; You, Li-Xin; Ding, Fu; Van Deun, Rik; Dragutan, Ileana; Dragutan, Valerian; Sun, Yaguang
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 11.6366 ± 0.0002 Å
• b: 22.1801 ± 0.0003 Å
• c: 29.5908 ± 0.0003 Å
• α: 70.754 ± 0.001°
• β: 89.232 ± 0.001°
• γ: 80.429 ± 0.001°
• Cell volume: 7103.17 ± 0.18 ų
• Cell temperature: 296.8 ± 0.7 K
• Ambient diffraction temperature: 296.8 ± 0.7 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No