Information card for entry 7108980

Structure parameters

• Formula: C53 H45 N5 O10 P2 U
• Calculated formula: C53 H45 N5 O10 P2 U
• SMILES: [U]12(=O)(=O)([O]=NO1)(ON=O)([O]=NO2)ON=O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.n1ccccc1
• Title of publication: Nitrite complexes of uranium and thorium
• Authors of publication: Florian Dulong; Jacky Pouessel; Pierre Thuery; Jean-Claude Berthet; Michel Ephritikhine; Thibault Cantat
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2412
• a: 19.1742 ± 0.0009 Å
• b: 13.8266 ± 0.0008 Å
• c: 38.374 ± 0.002 Å
• α: 90°
• β: 99.58 ± 0.003°
• γ: 90°
• Cell volume: 10031.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No