Information card for entry 4334179

Structure parameters

• Formula: C129 H151 N13 O29 P6 Pr2
• Calculated formula: C129 H151 N13 O29 P6 Pr2
• SMILES: c12cccc3C[C@@H]4C(=[O][Pr]56([O]=n13)([O]=P4(c1ccccc1)c1ccccc1)([O]=C(N(CC)CC)[C@@H](P(=[O]5)(c1ccccc1)c1ccccc1)C2)([O]=P([C@H](Cc1n(=O)c(ccc1)C[C@@H](P(=[O][Pr]12345([O]=n7c(cccc7C[C@H](C(=[O]1)N(CC)CC)P(=[O]2)(c1ccccc1)c1ccccc1)C[C@H](P(=[O]4)(c1ccccc1)c1ccccc1)C(N(CC)CC)=[O]3)([O]=N(=O)O5)[OH2])(c1ccccc1)c1ccccc1)C(=O)N(CC)CC)C(=O)N(CC)CC)(c1ccccc1)c1ccccc1)([O]=N(=O)O6)[OH2])N(CC)CC.N(=O)(=O)[O-].N(=O)(=O)[O-].c12cccc3C[C@H]4C(=[O][Pr]56([O]=n13)([O]=P4(c1ccccc1)c1ccccc1)([O]=C(N(CC)CC)[C@H](P(=[O]5)(c1ccccc1)c1ccccc1)C2)([O]=P([C@@H](Cc1n(=O)c(ccc1)C[C@H](P(=[O][Pr]12345([O]=n7c(cccc7C[C@@H](C(=[O]1)N(CC)CC)P(=[O]2)(c1ccccc1)c1ccccc1)C[C@@H](P(=[O]4)(c1ccccc1)c1ccccc1)C(N(CC)CC)=[O]3)([O]=N(=O)O5)[OH2])(c1ccccc1)c1ccccc1)C(=O)N(CC)CC)C(=O)N(CC)CC)(c1ccccc1)c1ccccc1)([O]=N(=O)O6)[OH2])N(CC)CC.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms
• Authors of publication: Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3063 - 3083
• a: 31.687 ± 0.004 Å
• b: 26.926 ± 0.003 Å
• c: 17.3104 ± 0.0019 Å
• α: 90°
• β: 105.915 ± 0.002°
• γ: 90°
• Cell volume: 14203 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No