Information card for entry 4301595

Structure parameters

• Formula: C64 H108 I N2 P4 U
• Calculated formula: C52 H80 I N2 P4 U
• SMILES: [U]1234(I)([P](C(C)C)(C(C)C)c6cc(ccc6N3c3ccc(cc3[P]1(C(C)C)C(C)C)C)C)[P](C(C)C)(C(C)C)c1cc(ccc1N4c1c([P]2(C(C)C)C(C)C)cc(cc1)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: 19.211 ± 0.004 Å
• b: 23.405 ± 0.005 Å
• c: 28.373 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12757 ± 5 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No