Information card for entry 4333075

Structure parameters

• Formula: C142 H138 Ce O4 P9 S6
• Calculated formula: C142 H138 Ce O4 P9 S6
• SMILES: [Ce]123456(SP(=C7[P]2(C(=C(C=C7c2ccccc2)c2ccccc2)P(=[S]1)(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)([S]=P(C1=C(C=C(C([P]41C)=P(S3)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)SP(=C1[P]6(C(P(=[S]5)(c2ccccc2)c2ccccc2)=C(C=C1c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1.O(CC)CC.O(CC)CC
• 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: 16.311 ± 0.003 Å
• b: 16.7552 ± 0.0018 Å
• c: 24.037 ± 0.004 Å
• α: 95.421 ± 0.009°
• β: 100.691 ± 0.006°
• γ: 103.437 ± 0.008°
• Cell volume: 6213 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2368
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No