Information card for entry 4306574

Structure parameters

• Formula: C12 H18 Cl3 Eu N2 O5
• Calculated formula: C12 H18 Cl3 Eu N2 O5
• SMILES: [Eu]1(Cl)(Cl)([OH2])([OH2])([OH2])([OH2])[n]2cccc3c2c2c(cc3)ccc[n]12.[Cl-].O
• 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: 7.8874 ± 0.0014 Å
• b: 9.2112 ± 0.0017 Å
• c: 13.268 ± 0.002 Å
• α: 106.734 ± 0.004°
• β: 97.205 ± 0.004°
• γ: 105.2 ± 0.004°
• Cell volume: 869.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0943
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.639
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No