Information card for entry 4120022

Structure parameters

• Formula: C44 H80 K O9.5 Si3 Tb
• Calculated formula: C44 H80 K O9.5 Si3 Tb
• Title of publication: Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+
• Authors of publication: Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9857 - 9868
• a: 14.4844 ± 0.0009 Å
• b: 22.3688 ± 0.0014 Å
• c: 16.1438 ± 0.001 Å
• α: 90°
• β: 98.5465 ± 0.0008°
• γ: 90°
• Cell volume: 5172.5 ± 0.6 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes