Information card for entry 4327878

Structure parameters

• Formula: C70.5 H76.25 Cl3 N9 O7.5 Tb
• Calculated formula: C70.5 H69 Cl3 N9 O7.5 Tb
• Title of publication: Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide
• Authors of publication: KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 647 - 660
• a: 25.938 Å
• b: 25.938 Å
• c: 25.938 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17450.6 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 2 K
• Number of distinct elements: 6
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No