Information card for entry 4333076

Structure parameters

• Formula: C104 H88 Cl2 N4 P6 S4 U
• Calculated formula: C104 H88 Cl2 N4 P6 S4 U
• SMILES: [U]1234(Cl)(Cl)([P]5(C(P(=[S]1)(c1ccccc1)c1ccccc1)=C(C=C(C5=P(S2)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C)[P]1(C(=P(S3)(c2ccccc2)c2ccccc2)C(=CC(=C1P(=[S]4)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Lanthanide and Uranium Complexes with an SPS-Based Pincer Ligand
• Authors of publication: Arliguie, Thérèse; Doux, Marjolaine; Mézailles, Nicolas; Thuéry, Pierre; Le Floch, Pascal; Ephritikhine, Michel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9907 - 9913
• a: 12.23 ± 0.0004 Å
• b: 16.1054 ± 0.0007 Å
• c: 23.8636 ± 0.0007 Å
• α: 104.816 ± 0.003°
• β: 95.565 ± 0.003°
• γ: 91.068 ± 0.002°
• Cell volume: 4518.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0761
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No