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Information card for entry 7024907
Preview
Coordinates | 7024907.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C5 H24 Na6 O27 U |
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Calculated formula | C5 H24 Na6 O27 U |
SMILES | [U]12345(OC(O1)=O)(OC(=O)O2)(OC(=O)O3)(OC(=O)O4)OC(O5)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Comparative investigation of the solution species [U(CO3)5]6- and the crystal structure of Na6[U(CO3)5].12H2O. |
Authors of publication | Hennig, Christoph; Ikeda-Ohno, Atsushi; Emmerling, Fanziska; Kraus, Werner; Bernhard, Gert |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 15 |
Pages of publication | 3744 - 3750 |
a | 9.563 ± 0.002 Å |
b | 9.901 ± 0.002 Å |
c | 13.658 ± 0.003 Å |
α | 90.452 ± 0.003° |
β | 104.692 ± 0.003° |
γ | 95.427 ± 0.003° |
Cell volume | 1244.6 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0718 |
Residual factor for significantly intense reflections | 0.069 |
Weighted residual factors for significantly intense reflections | 0.1775 |
Weighted residual factors for all reflections included in the refinement | 0.1807 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7024907.html
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Users of the data should acknowledge the original authors of the
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