Information card for entry 7027693

Structure parameters

• Formula: C42 H52 N7 O15 Pr
• Calculated formula: C42 H52 N7 O15 Pr
• SMILES: [Pr]12345([O]=N(=O)O1)(ON(=[O]2)=O)([O]=N(O3)=O)([O]=C(C(C(=[O]4)N(C)c1ccccc1)CCOCC)N(C)c1ccccc1)[O]=C(C(C(=[O]5)N(C)c1ccccc1)CCOCC)N(C)c1ccccc1
• Title of publication: Structural studies of lanthanide complexes with new hydrophobic malonamide solvent extraction agents †
• Authors of publication: Iveson, Peter B.; Drew, Michael G. B.; Hudson, Michael J.; Madic, Charles
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 20
• Pages of publication: 3605
• a: 27.79 ± 0.03 Å
• b: 18.26 ± 0.02 Å
• c: 19.16 ± 0.02 Å
• α: 90°
• β: 97.797 ± 0.01°
• γ: 90°
• Cell volume: 9633 ± 18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1922
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No