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Information card for entry 7231648
Preview
Coordinates | 7231648.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 |
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Calculated formula | C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 |
SMILES | [NH4+].[NH4+].O1[W]234(O[W]567(O[W]891(=O)[O]25[Si]12[O]5%10[W]%11%12(O3)(=O)[O]3[W]%13%14(O4)([O]4[Ce]%15%16%17%18%19%20[O]%21[Ce]%22%23%24%25%26%10[O]%12[Ce]%10%1234([O]=C(CCCCC[NH3+])O%10)([O]%15%24)[O]=[W]34%10([O]%15[Si]%24%27[O]%28%29[W]%30%31%32(=O)O[W]%33%34%28(=O)O[W]%29(=O)(O%30)(O%10)O[W]%10(=[O]%25)([O]%26%24[W]%24([O]%23[Ce]%23%25%26%21([O]=[W]%21(O9)(O[W]([O]6)([O]1%21)(=[O]%25)(=O)O[W](=[O]%16)([O]2%13%19)(=O)(O7)O%14)(=O)O[W]5(O8)(=O)(O%11)=[O]%22)([O]=C(CCCCC[NH3+])O%23)[O]%18[W]1(O%31)([O]%20%27[W](O%33)(=[O]%17)(O1)(=O)O[W]%15(=[O]%12)(=O)(O3)O%34)(=O)[O]%24%26)(O%10)(O%32)=O)(O4)=O)=O)=O)=O)=O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.[NH4+].[NH4+].O.O.[Na+] |
Title of publication | Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates |
Authors of publication | Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 44 |
Pages of publication | 7144 |
a | 12.7662 ± 0.0004 Å |
b | 13.7583 ± 0.0005 Å |
c | 15.2105 ± 0.0006 Å |
α | 79.276 ± 0.0019° |
β | 75.0343 ± 0.0017° |
γ | 65.2698 ± 0.0015° |
Cell volume | 2334.97 ± 0.15 Å3 |
Cell temperature | 99.99 K |
Ambient diffraction temperature | 99.99 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0337 |
Residual factor for significantly intense reflections | 0.0262 |
Weighted residual factors for significantly intense reflections | 0.0586 |
Weighted residual factors for all reflections included in the refinement | 0.0612 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7231648.html
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Users of the data should acknowledge the original authors of the
structural data.