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Information card for entry 7213822
Preview
Coordinates | 7213822.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H18 N6 O3 S4 U |
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Calculated formula | C16 H16 N6 O3 S4 U |
SMILES | C(=N[U](=O)(N=C=S)(N=C=S)(N=C=S)(=O)[OH2])=S.c1cc(cc[nH+]1)C.c1cc(cc[nH+]1)C |
Title of publication | The exploration of supramolecular interactions stemming from the [UO2(NCS)4(H2O)]2− tecton and substituted pyridinium cations |
Authors of publication | Surbella III, Robert G.; Cahill, Christopher L. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 12 |
Pages of publication | 2352 |
a | 14.654 ± 0.002 Å |
b | 9.0207 ± 0.0014 Å |
c | 17.766 ± 0.003 Å |
α | 90° |
β | 92.078 ± 0.002° |
γ | 90° |
Cell volume | 2346.9 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0264 |
Residual factor for significantly intense reflections | 0.0223 |
Weighted residual factors for significantly intense reflections | 0.0449 |
Weighted residual factors for all reflections included in the refinement | 0.046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation probe | x-ray |
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/7213822.html
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Users of the data should acknowledge the original authors of the
structural data.