Information card for entry 4301593

Structure parameters

• Formula: C38 H64 Cl3 N O3 P2 U
• Calculated formula: C30 H48 Cl3 N O P2 U
• SMILES: [U]12([P](C(C)C)(C(C)C)c3cc(ccc3N2c2ccc(cc2[P]1(C(C)C)C(C)C)C)C)(Cl)(Cl)(Cl)[O]1CCCC1
• 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: 11.9601 ± 0.0014 Å
• b: 14.2707 ± 0.0017 Å
• c: 24.803 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4233.4 ± 0.9 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No