Information card for entry 4319931

Structure parameters

• Chemical name: Aqua Tris(trifluoroacetate), bis(phenanthroline), gadolinium
• Formula: C30 H18 F9 Gd N4 O7
• Calculated formula: C30 H18 F8.994 Gd N4 O7
• Title of publication: Synthesis, Crystal Structure, and Magnetic Properties of the Mixed-Ligand Complex [Gd(CF3CO2)3(phen)2(H2O)]
• Authors of publication: Alberto Rizzi; Ricardo Baggio; Rafael Calvo; Maria T. Garland; Octavio Peña; Mireille Perec
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3623 - 3625
• a: 11.889 ± 0.002 Å
• b: 12.158 ± 0.002 Å
• c: 13.225 ± 0.002 Å
• α: 76.689 ± 0.013°
• β: 85.589 ± 0.014°
• γ: 62.898 ± 0.012°
• Cell volume: 1655.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No