Information card for entry 4315135

Structure parameters

• Formula: C62 H45 N10 O5 P3 U
• Calculated formula: C62 H45 N10 O5 P3 U
• SMILES: [U](=O)(=O)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(n1nc(c(n1)C#N)C#N)n1nc(c(n1)C#N)C#N
• Title of publication: First Actinide Complexes of the Nitrogen-Containing Ligands Dinitramide (N(NO2)2-), 4,5-Dicyano-1,2,3-triazolate (C4N5-), and Dicyanamide (N(CN)2-)
• Authors of publication: Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Franz Martin; Peter Mayer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2674 - 2683
• a: 18.997 ± 0.0002 Å
• b: 31.95 ± 0.0003 Å
• c: 20.1133 ± 0.0002 Å
• α: 90°
• β: 111.445 ± 0.0004°
• γ: 90°
• Cell volume: 11362.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No