Information card for entry 7126423

Structure parameters

• Formula: C32 H31 Cl3 Eu F9 N2 O21 S3
• Calculated formula: C32 H31 Cl3 Eu F9 N2 O21 S3
• SMILES: [Eu]23([OH2])([OH2])([OH2])([OH2])([O]=c1[nH]c4c(OC)ccc5C=Cc(c1C(=[O]2)OC)c45)([O]=c1[nH]c2c(OC)ccc4C=Cc(c1C(=[O]3)OC)c24)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.C(Cl)(Cl)Cl
• Title of publication: Smart lanthanide antennas for sensing water.
• Authors of publication: Fueyo-González, Francisco; Garcia-Fernandez, Emilio; Martínez, David; Infantes, Lourdes; Orte, Angel; González-Vera, Juan A; Herranz, Rosario
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 41
• Pages of publication: 5484 - 5487
• a: 27.777 ± 0.008 Å
• b: 14.271 ± 0.0013 Å
• c: 26.502 ± 0.0019 Å
• α: 90°
• β: 115.444 ± 0.005°
• γ: 90°
• Cell volume: 9487 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1879
• Residual factor for significantly intense reflections: 0.1521
• Weighted residual factors for significantly intense reflections: 0.3876
• Weighted residual factors for all reflections included in the refinement: 0.4581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.781
• Diffraction radiation wavelength: 0.79473 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No