Information card for entry 7008861

Structure parameters

• Common name: Compound 5, Yb - tripod diamide
• Formula: C87 H150 N9 O23 Yb
• Calculated formula: C85 H142 N9 O21 Yb
• SMILES: [Yb]12345678[O]=C(NCCOc9c(C(c%10c(OCCNC(=[O]3)C[O]4CC(=[O]5)N(C(C)C)C(C)C)c(C(C)(C)CC)cc(C(C)(C)CC)c%10)c3c(OCCNC(=[O]6)C[O]7CC(=[O]8)N(C(C)C)C(C)C)c(C(C)(C)CC)cc(C(C)(C)CC)c3)cc(cc9C(C)(C)CC)C(C)(C)CC)C[O]1CC(=[O]2)N(C(C)C)C(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Highly efficient binding of trivalent f-elements from acidic media with a C3-symmetric tripodal ligand containing diglycolamide arms
• Authors of publication: Matloka, Kornelia; Gelis, Artem; Regalbuto, Monica; Vandegrift, George; Scott, Michael J.
• Journal of publication: Dalton Transactions
• Year of publication: 2005
• Journal issue: 23
• Pages of publication: 3719
• a: 71.172 ± 0.005 Å
• b: 12.8866 ± 0.0009 Å
• c: 23.3365 ± 0.0016 Å
• α: 90°
• β: 94.489 ± 0.001°
• γ: 90°
• Cell volume: 21338 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No