Information card for entry 4115227

Structure parameters

• Formula: C44 H80 Eu N7 O21
• Calculated formula: C44 H80 Eu N7 O21
• SMILES: [Eu]1234567([O]=C(N[C@@H](C)c8ccccc8)C[N]84CC[N]5(CC[N]6(CC[NH]7CC8)CC(=[O]2)N[C@@H](C)c2ccccc2)CC(=[O]1)N[C@@H](C)c1ccccc1)[OH]C(C(=O)O3)(CC(=O)[O-])CC(=O)[O-].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Structural, Luminescence, and NMR Studies of the Reversible Binding of Acetate, Lactate, Citrate, and Selected Amino Acids to Chiral Diaqua Ytterbium, Gadolinium, and Europium Complexes
• Authors of publication: Rachel S. Dickins; Silvio Aime; Andrei S. Batsanov; Andrew Beeby; Mauro Botta; James I. Bruce; Judith A. K. Howard; Christine S. Love; David Parker; Robert D. Peacock; Horst Puschmann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12697 - 12705
• a: 11.4255 ± 0.0017 Å
• b: 19.727 ± 0.003 Å
• c: 11.9028 ± 0.0018 Å
• α: 90°
• β: 93.776 ± 0.004°
• γ: 90°
• Cell volume: 2677 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No