Information card for entry 4503549

Structure parameters

• Formula: C12 H12 N4 O12 Th
• Calculated formula: C12 H9 N4 O12.21 Th
• Title of publication: Thorium(IV) Coordination Polymers in the Pyridine and Pyrazinedicarboxylic Acid Systems
• Authors of publication: Frisch, Mark; Cahill, Christopher L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 2921
• a: 15.484 ± 0.0008 Å
• b: 7.6582 ± 0.0004 Å
• c: 28.6993 ± 0.0015 Å
• α: 90°
• β: 97.906 ± 0.001°
• γ: 90°
• Cell volume: 3370.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No