Information card for entry 7248087

Structure parameters

• Formula: C12 H16 N8 O18 Th
• Calculated formula: C12 H16 N8 O18 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: 8.5991 ± 0.0005 Å
• b: 10.9119 ± 0.0006 Å
• c: 12.5427 ± 0.0007 Å
• α: 90°
• β: 94.099 ± 0.001°
• γ: 90°
• Cell volume: 1173.9 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No