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Information card for entry 7106921
Preview
Coordinates | 7106921.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H96 Li6 N12 O2 S4 |
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Calculated formula | C42 H96 Li6 N12 O2 S4 |
SMILES | [Li]12[N](C(C)(C)C)=S([N]1(C(C)(C)C)[Li]134)CN(C)C[N](C)([Li]56[O]178[O]3619)CS([N]53C(C)(C)C)=[N](C(C)(C)C)[Li]5[N](C(C)(C)C)=S([N]5(C(C)(C)C)[Li]137)CN(C)C[N](C)([Li]891)CS([N]14C(C)(C)C)=[N]2C(C)(C)C |
Title of publication | Peroxide solvation by a toroidal lithium inverse crown ether complex assembled by multidentate polyimido sulfonates |
Authors of publication | Margret Mainholz; Elena Carl; Ella Kriemen; Dietmar Stalke |
Journal of publication | Chem.Commun. |
Year of publication | 2011 |
Journal volume | 47 |
Pages of publication | 10948 |
a | 8.608 ± 0.0009 Å |
b | 14.0907 ± 0.0014 Å |
c | 24.267 ± 0.003 Å |
α | 90° |
β | 99.829 ± 0.002° |
γ | 90° |
Cell volume | 2900.2 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0651 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.1056 |
Weighted residual factors for all reflections included in the refinement | 0.1127 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
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/7106921.html
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Users of the data should acknowledge the original authors of the
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