Information card for entry 4127828

Structure parameters

• Formula: C64 H148 K N16 O2 P4 Tb
• Calculated formula: C64 H148 K N16 O2 P4 Tb
• Title of publication: Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.
• Authors of publication: Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 33
• Pages of publication: 13222 - 13233
• a: 22.587 ± 0.003 Å
• b: 15.454 ± 0.002 Å
• c: 25.702 ± 0.004 Å
• α: 90°
• β: 114.727 ± 0.005°
• γ: 90°
• Cell volume: 8149 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1015
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No