Information card for entry 7108978

Structure parameters

• Formula: C51 H46.5 N6.5 O12.5 P2 Th
• Calculated formula: C51 H46.5 N6.5 O12.5 P2 Th
• SMILES: [Th]123456(ON=[O]1)(ON=[O]2)(ON=[O]3)(ON=[O]4)(ON=[O]5)ON=[O]6.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.O(CC)CC
• 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: 11.2048 ± 0.0003 Å
• b: 21.699 ± 0.0006 Å
• c: 22.4861 ± 0.0004 Å
• α: 78.0104 ± 0.0015°
• β: 81.8288 ± 0.0015°
• γ: 75.3495 ± 0.0013°
• Cell volume: 5150.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No