Information card for entry 1563549

Structure parameters

• Chemical name: 'Tetrapropylammonium thorium nitrate'
• Formula: C24 Br0 N8 O18 Th
• Calculated formula: C24 N8 O18 Th
• SMILES: [Th]123456([O]=N(=O)O6)(ON(=[O]5)=O)([O]=N(=O)O2)([O]=N(=O)O1)([O]=N(=O)O3)ON(=[O]4)=O.[N+](CCC)(CCC)(CCC)CCC.[N+](CCC)(CCC)(CCC)CCC
• Title of publication: Crystal chemistry of thorium nitrates and chromates
• Authors of publication: Sigmon, Ginger E.; Burns, Peter C.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2010
• Journal volume: 183
• Journal issue: 7
• Pages of publication: 1604 - 1608
• a: 14.643 ± 0.004 Å
• b: 15.772 ± 0.005 Å
• c: 22.316 ± 0.005 Å
• α: 90°
• β: 131.008 ± 0.011°
• γ: 90°
• Cell volume: 3889 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No