Information card for entry 4301594

Structure parameters

• Formula: C56 H88 Cl2 N2 O P4 U
• Calculated formula: C56 H88 Cl2 N2 O P4 U
• SMILES: [U]12([P](C(C)C)(C(C)C)c5cc(ccc5N1c1c(P(C(C)C)C(C)C)cc(cc1)C)C)([P](C(C)C)(C(C)C)c1cc(ccc1N2c1ccc(cc1P(C(C)C)C(C)C)C)C)(Cl)Cl.O1CCCC1
• Title of publication: What a Difference a 5f Element Makes: Trivalent and Tetravalent Uranium Halide Complexes Supported by One and Two Bis[2-(diisopropylphosphino)-4-methylphenyl]amido (PNP) Ligands
• Authors of publication: Thibault Cantat; Brian L. Scott; David E. Morris; Jaqueline L. Kiplinger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2114 - 2127
• a: 13.6641 ± 0.0018 Å
• b: 14.126 ± 0.0018 Å
• c: 17.874 ± 0.002 Å
• α: 91.607 ± 0.001°
• β: 110.087 ± 0.001°
• γ: 113.515 ± 0.001°
• Cell volume: 2916 ± 0.6 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No