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Information card for entry 4301476
Preview
Coordinates | 4301476.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | H125 Na4 O135 Tm2 W22 |
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Calculated formula | Na4 O122 Tm2 W22 |
SMILES | [W]12345=[O][Tm]6([OH2])([OH2])([OH2])([OH2])([OH2])[O]=[W]789(=O)O[W]%10%11%12(=O)O[W]%13%14%15(=O)O[W]%16%17%18(=O)O[W]%19(=O)(O1)(O[W](=O)(O2)(O%16)([O]4%18%19)O[W]124(=[O][Tm]%16([O]=[W]%18%19%20%21O[W]%22%23%24(=O)O[W]%25%26(=O)(O%18)O[W]%18(=O)(O%22)(O[W]%22%27%28(=O)O[W]%29%30%31(=O)O[W](=O)(O%18)(O%22)(O[W]%18(=O)(=O)(O%23)O[W](=O)(=[O]%16)(O%29)([O]%21%18)O[W]%16(=O)(O4)(O[W](O[W](=O)(O1)([O]32)(O%12)O9)(=[O]6)([O]%19%16)(O%26)O%27)O%31)[O]%28%30)[O]%20%24%25)([OH2])([OH2])([OH2])([OH2])[OH2])O%14)O[W](=O)(=O)(O[W](=O)(O%17)(O%13)(O%10)[O]%11%15)(O7)[O]58.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | 22-Isopolytungstate Fragment [H2W22O74]14-Coordinated to Lanthanide Ions |
Authors of publication | Amal H. Ismail; Michael H. Dickman; Ulrich Kortz |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 1559 - 1565 |
a | 12.5155 ± 0.0011 Å |
b | 12.6622 ± 0.0014 Å |
c | 18.3682 ± 0.0017 Å |
α | 98.285 ± 0.006° |
β | 95.498 ± 0.005° |
γ | 93.339 ± 0.006° |
Cell volume | 2859.6 ± 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 | 0.0897 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.1103 |
Weighted residual factors for all reflections included in the refinement | 0.1265 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4301476.html
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Users of the data should acknowledge the original authors of the
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