Information card for entry 4334174

Structure parameters

• Formula: C41 H45 N6 O14 P2 Pr
• Calculated formula: C41 H45 N6 O14 P2 Pr
• SMILES: [Pr]123456([O]=N(O1)=O)([O]=N(=O)O2)([O]=N(=O)O3)[O]=P(c1ccccc1)([C@@H](C(=O)N(CC)CC)c1n(=[O]4)c(ccc1)[C@H](P(=[O]5)(c1ccccc1)c1ccccc1)C(=[O]6)N(CC)CC)c1ccccc1
• 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: 22.5122 ± 0.001 Å
• b: 18.6045 ± 0.0008 Å
• c: 22.7679 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9535.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0546
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No