Information card for entry 7108977

Structure parameters

• Formula: C53 H45 N7 O12 P2 Th
• Calculated formula: C53 H45 N7 O12 P2 Th
• SMILES: [Th]123456([O]=NO1)([O]=NO2)([O]=NO3)([O]=NO4)([O]=NO5)[O]=NO6.[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: 17.6259 ± 0.0004 Å
• b: 13.8559 ± 0.0004 Å
• c: 23.1389 ± 0.0005 Å
• α: 90°
• β: 110.643 ± 0.0014°
• γ: 90°
• Cell volume: 5288.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No