Information card for entry 7027692

Structure parameters

• Formula: C42 H52 N7 Nd O15
• Calculated formula: C42.5 H51.5 N7 Nd O15.5
• SMILES: [Nd]12345([O]=N(O1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)([O]=C(C(C(=[O]4)N(C)c1ccccc1)CCOCCC)N(C)c1ccccc1)[O]=C(C(C(=[O]5)N(C)c1ccccc1)CCOCC)N(C)c1ccccc1.O
• 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: 27.76 ± 0.03 Å
• b: 18.22 ± 0.02 Å
• c: 19.12 ± 0.02 Å
• α: 90°
• β: 97.73 ± 0.01°
• γ: 90°
• Cell volume: 9583 ± 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: 0.1254
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No