Information card for entry 4301597

Structure parameters

• Formula: C44 H66 I2 N3 P2 U
• Calculated formula: C44 H66 I2 N3 P2 U
• SMILES: [U]12(I)(I)([P](C(C)C)(C(C)C)c3cc(ccc3N2c2ccc(cc2[P]1(C(C)C)C(C)C)C)C)([n]1ccc(cc1)C(C)(C)C)[n]1ccc(cc1)C(C)(C)C
• 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: 14.174 ± 0.003 Å
• b: 14.912 ± 0.003 Å
• c: 23.424 ± 0.005 Å
• α: 90°
• β: 102.151 ± 0.002°
• γ: 90°
• Cell volume: 4840 ± 1.8 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.0559
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No