Information card for entry 4306571

Structure parameters

• Formula: C24 H24 Cl3 Gd N4 O4
• Calculated formula: C24 H24 Cl3 Gd N4 O4
• SMILES: [Gd]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: 10.3337 ± 0.0002 Å
• b: 10.4819 ± 0.0002 Å
• c: 12.5371 ± 0.0002 Å
• α: 97.5218 ± 0.0007°
• β: 108.485 ± 0.0006°
• γ: 93.4024 ± 0.0007°
• Cell volume: 1269.47 ± 0.04 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: 0.0262
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No