Information card for entry 7027691

Structure parameters

• Formula: C42 H52 N7 Nd O13
• Calculated formula: C42 H52 N7 Nd O13
• SMILES: [Nd]12345(ON(=O)=[O]4)([O]=N(=O)O1)([O]=C(C(C(=[O]2)N(C)c1ccccc1)CCCC)N(C)c1ccccc1)([O]=C(C(C(=[O]3)N(C)c1ccccc1)CCCC)N(C)c1ccccc1)[O]=N(O5)=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: 26.48 ± 0.03 Å
• b: 9.833 ± 0.012 Å
• c: 18.58 ± 0.02 Å
• α: 90°
• β: 96.725 ± 0.01°
• γ: 90°
• Cell volume: 4805 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No