Information card for entry 4306573

Structure parameters

• Formula: C24 H22 Cl3 Eu N4 O3
• Calculated formula: C24 H22 Cl3 Eu N4 O3
• SMILES: [Eu]12(Cl)([OH2])(Cl)([OH2])([n]3cccc4ccc5c([n]1ccc5)c34)[n]1cccc3ccc4ccc[n]2c4c13.O.[Cl-]
• Title of publication: Role of Inner- and Outer-Sphere Bonding in the Sensitization of EuIII-Luminescence Deciphered by Combined Analysis of Experimental Electron Density Distribution Function and Photophysical Data
• Authors of publication: Lada N. Puntus; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Jean-Claude G. Bünzli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11095 - 11107
• a: 36.2101 ± 0.0006 Å
• b: 7.6163 ± 0.0001 Å
• c: 18.0859 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4987.86 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No