Information card for entry 4342033

Structure parameters

• Formula: C14 H19 Fe N O22 Th
• Calculated formula: C14 H19 Fe N O22 Th
• Title of publication: Interplay of Condensation and Chelation in Binary and Ternary Th(IV) Systems.
• Authors of publication: Unruh, Daniel K.; de Groot, Joshua; Fairley, Melissa; Libo, Anna; Miller, Samuel; Forbes, Tori Z.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1395 - 1404
• a: 9.845 ± 0.0006 Å
• b: 11.0807 ± 0.0007 Å
• c: 12.7574 ± 0.0008 Å
• α: 67.288 ± 0.002°
• β: 89.853 ± 0.002°
• γ: 84.338 ± 0.002°
• Cell volume: 1276.56 ± 0.14 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: 0.0223
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No