Information card for entry 7004780

Structure parameters

• Common name: Thorium-1,3-adamantanediacetate oxyfluoride mononitrate
• Chemical name: Thorium-1,3-adamantanediacetate oxyfluoride mononitrate
• Formula: C42 H54 F5 N O15 Th3
• Calculated formula: C42 H54 F5.189 N O15 Th3
• Title of publication: Synthesis, structure, and characterization of a new thorium‒organic framework material, Th3F5[(C10H14)(CH2CO2)2]3(NO3)
• Authors of publication: Ok, Kang Min; O'Hare, Dermot
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5560 - 5562
• a: 21.247 ± 0.003 Å
• b: 21.247 ± 0.003 Å
• c: 21.247 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9592 ± 2 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No