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Information card for entry 7705295
Preview
Coordinates | 7705295.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H58 Mo12 N2 O46 S4 Si |
---|---|
Calculated formula | C42 H58 Mo12 N2 O46 S4 Si |
SMILES | [Mo]1234(O[Mo]567(O[Mo]89%10(=O)O[Mo]%11%12%13(O[Mo]%14%15%16(=O)[O]%17%18[Mo](O8)(O6)(O%14)(=O)O[Mo]6%17(O[Mo]8([O]15[Si]1%18[O]5%14[Mo]%17(O[Mo]%14(=O)(O3)(O[Mo](=O)([O]9%111)(O%10)(O%13)O4)O[Mo]5(=O)(O%15)(O%12)O%17)(O6)(=O)O8)(=O)(O2)O7)(=O)O%16)=O)=O)=O.[S+](c1ccc(cc1)C=O)(C)C.N(C)(C=O)C.[S+](C)(c1ccc(cc1)C=O)C.[S+](c1ccc(cc1)C=O)(C)C.c1cc(ccc1C=O)[S+](C)C.CN(C)C=O |
Title of publication | Post-functionalization through covalent modification of organic counter ions: a stepwise and controlled approach for novel hybrid polyoxometalate materials. |
Authors of publication | Kar, Aranya; Pradeep, Chullikkattil P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 35 |
Pages of publication | 12174 - 12179 |
a | 13.3411 ± 0.0013 Å |
b | 14.4694 ± 0.0009 Å |
c | 19.6679 ± 0.0017 Å |
α | 93.167 ± 0.006° |
β | 100.73 ± 0.008° |
γ | 104.086 ± 0.007° |
Cell volume | 3597.9 ± 0.5 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1049 |
Residual factor for significantly intense reflections | 0.0812 |
Weighted residual factors for significantly intense reflections | 0.203 |
Weighted residual factors for all reflections included in the refinement | 0.2349 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/7705295.html
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