Information card for entry 4306569

Structure parameters

• Formula: C24 H24 Cl3 Eu N4 O4
• Calculated formula: C24 H24 Cl3 Eu N4 O4
• SMILES: [Eu]12(Cl)([OH2])([OH2])([OH2])([n]3cccc4c3c3c(cc4)ccc[n]13)[n]1cccc3c1c1c(cc3)ccc[n]21.[Cl-].[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: 10.3407 ± 0.0004 Å
• b: 10.4846 ± 0.0004 Å
• c: 12.5381 ± 0.0005 Å
• α: 97.4427 ± 0.0008°
• β: 108.414 ± 0.0007°
• γ: 93.4485 ± 0.0008°
• Cell volume: 1271.49 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No