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Information card for entry 4325954
Preview
Coordinates | 4325954.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H18 Cu4 K3 N2 Na O50 Si W9 |
---|---|
Calculated formula | C8 H18 Cu4 K3 N2 Na O50 Si W9 |
SMILES | C1(=[O][Cu]234[O]5[Cu]678(O[W]9%10%11(O[W]%12%13%14(O[W]%15%16%17(=O)O[Cu]%18(O%12)([O]%13%15[Si]%12%13[O]%15%19[W]%20%21%22(O[Cu]5%19(O[W]%15(O%22)(=O)(O[W]5%15([O]%19%12[W](O[W](O9)([O]6%10%13)(O%21)(O7)=O)(=O)(O%20)(O[W]%19(O%15)(O%11)(=O)O%14)O5)(O%16)=O)O%17)([O]3%18)O1)=O)([O]28)[O]=C(CCC[NH3+])O4)=O)=O)[OH2])CCC[NH3+].[K+].[K+].[K+].[Na+].O.O.O.O.O.O.O.O |
Title of publication | Route for the Elaboration of Functionalized Hybrid 3d-Substituted Trivacant Keggin Anions |
Authors of publication | Guillaume Rousseau; Olivier Oms; Anne Dolbecq; Jérôme Marrot; Pierre Mialane |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 7376 - 7378 |
a | 22.313 ± 0.003 Å |
b | 18.798 ± 0.003 Å |
c | 12.0022 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5034.2 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 9 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0871 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1497 |
Weighted residual factors for all reflections included in the refinement | 0.1588 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
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/4325954.html
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