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Information card for entry 4002188
Preview
Coordinates | 4002188.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 Cr6 Mo12 N6 O66 P |
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Calculated formula | C48 Cr6 Mo12 N6 O66 P |
SMILES | [Mo]1234(=O)O[Mo]567(=O)O[Mo]89(O[Mo]%10%11(O1)(=O)O[Mo]1%12(O2)(=O)O[Mo]2%13%14(O[Mo]%15(O3)(=O)(O5)O[Mo]35(O%13)(=O)O[Mo]%13(O6)(=O)(O8)O[Mo]68(O[Mo]%16(O%10)(O9)(=O)O[Mo](O1)(=O)(O2)(O6)[O]%12%14P([O]47%15)(=[O]%11%16)[O]5%138)(O3)=O)=O)=O.[Cr]1234([O]=CO[Cr]56([O]=CO1)([O]=CO[Cr]([O]=CO5)([O]=CO2)(OC=[O]3)([O]46)[n]1ccc(cc1)C)[n]1ccc(cc1)C)[n]1ccc(cc1)C.[Cr]1234([O]=CO[Cr]56([O]=CO1)([O]=CO[Cr]([O]=CO5)([O]=CO2)(OC=[O]3)([O]46)[n]1ccc(cc1)C)[n]1ccc(cc1)C)[n]1ccc(cc1)C |
Title of publication | Redox-Induced Reversible Uptake‒Release of Cations in Porous Ionic Crystals Based on Polyoxometalate: Cooperative Migration of Electrons with Alkali Metal Ions |
Authors of publication | Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka |
Journal of publication | Chemistry of Materials |
Year of publication | 2015 |
Journal volume | 27 |
Journal issue | 6 |
Pages of publication | 2092 |
a | 29.59 ± 0.06 Å |
b | 25.19 ± 0.05 Å |
c | 13.39 ± 0.02 Å |
α | 90° |
β | 91.23 ± 0.04° |
γ | 90° |
Cell volume | 9978 ± 3 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.166 |
Weighted residual factors for all reflections included in the refinement | 0.4461 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 0.7107 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/4002188.html
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