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Information card for entry 4115230
Preview
Coordinates | 4115230.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H66 F6 N8 O15 S2 Yb |
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Calculated formula | C44 H66 F6 N8 O15 S2 Yb |
SMILES | [Yb]1234567([O]=C(N[C@H](C)c8ccccc8)C[N]83CC[N]4(CC[N]5(CC[NH]6CC8)CC(=[O]2)N[C@H](C)c2ccccc2)CC(=[O]1)N[C@H](C)c1ccccc1)OC(=O)[C@@H]([NH2]7)CO.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.OC.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 | 11.288 ± 0.002 Å |
b | 11.981 ± 0.002 Å |
c | 12.454 ± 0.002 Å |
α | 64.7 ± 0.01° |
β | 76.53 ± 0.01° |
γ | 62.42 ± 0.01° |
Cell volume | 1348.4 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0253 |
Residual factor for significantly intense reflections | 0.0253 |
Weighted residual factors for significantly intense reflections | 0.0634 |
Weighted residual factors for all reflections included in the refinement | 0.0634 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4115230.html
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Users of the data should acknowledge the original authors of the
structural data.