Information card for entry 7248084

Structure parameters

• Formula: C20 H24 N12 O24 Th
• Calculated formula: C20 H24 N12 O24 Th
• Title of publication: Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors
• Authors of publication: Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1380 - 1398
• a: 10.1866 ± 0.0007 Å
• b: 13.3824 ± 0.0009 Å
• c: 13.089 ± 0.0009 Å
• α: 90°
• β: 95.951 ± 0.002°
• γ: 90°
• Cell volume: 1774.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No