Information card for entry 8101574

Structure parameters

• Formula: C48 H84 N6 O20 P2 U2
• Calculated formula: C48 N6 O20 P2 U2
• SMILES: [U]123(=O)(=O)([O]=P(c4ccccc4)(CCCCCCCC)CC(=[O]1)N(CC(C)C)CC(C)C)([O]=N(=O)O2)[O]=N(=O)O3
• Title of publication: Crystal structure of octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine dioxouranium nitrate, C~48~H~84~N~6~O~20~P~2~U~2~
• Authors of publication: Cherfa, Samy; Pecaut, Jacques; Nierlich, Martine
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 523 - 525
• a: 19.7821 ± 0.0003 Å
• b: 10.6352 ± 0.0002 Å
• c: 31.4217 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6610.7 ± 0.2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.148
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No