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Information card for entry 7107821
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Coordinates | 7107821.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cesium gallium-octadecaniobate |
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Formula | Cs13 Ga H24 Na2 Nb18 O66 |
Calculated formula | Cs13 Ga Na2 Nb18 O66 |
SMILES | [O]12[Nb]3456[O]789%10[Nb]%11%12(O3)(O[Nb]3%137(O[Nb]%10(O4)(O%12)(O[Nb]18(O3)(=O)[O]1[Nb]39([O]6[Ga]46[O]78[Nb]9%10(O5)(O[Nb]5%128(O[Nb]27(=O)(O[Nb]271(O[Nb]18(O[Nb]%14%15%16%17[O]([Nb]%18%19%20([O]%21%22%23%14[Nb]%14%24(O%15)(O[Nb]%21(O[Nb]%23(O%16)(O%24)(O%20)=O)(O%18)(=O)O[Nb]%22([O]6%17)([O]%12%19)(O%14)O9)=O)=O)[Nb](=O)(O5)(O2)([O]471)O8)(=O)O3)=O)O%10)=O)=O)(O%11)O%13)=O)=O)=O.[Na+].[Na+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Aqueous compatibility of group IIIA monomers and Nb-polyoxoanions |
Authors of publication | Yu Hou; Todd Alam; Mark A. Rodriguez; May Nyman |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 6004 |
a | 16.8515 ± 0.0013 Å |
b | 16.8515 ± 0.0013 Å |
c | 28.919 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8212.2 ± 1.2 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 138 |
Hermann-Mauguin space group symbol | P 42/n c m :2 |
Hall space group symbol | -P 4ac 2ac |
Residual factor for all reflections | 0.0594 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1553 |
Weighted residual factors for all reflections included in the refinement | 0.1624 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/7107821.html
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