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Information card for entry 7031710
Preview
Coordinates | 7031710.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H34 Mo8 N12 O33 |
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Calculated formula | C18 H34 Mo8 N12 O33 |
SMILES | c1cc[nH][n]1[Mo]123(OO1)(=O)[O]1[Mo]456([O]3[Mo]3(O2)([O]25[Mo]5(O4)(O3)(=O)(OO5)[O]3[Mo]45([n]7ccc[nH]7)(OO4)(=O)O[Mo]47([O]5[Mo]523(=O)O[Mo]21([O]645)(O7)(=O)OO2)(=O)=O)(=O)=O)=O.c1cc[nH+][nH]1.c1cc[nH+][nH]1.O.O.c1cc[nH+][nH]1.c1cc[nH+][nH]1.O |
Title of publication | Experimental and theoretical insights into the oxodiperoxomolybdenum-catalysed sulphide oxidation using hydrogen peroxide in ionic liquids. |
Authors of publication | Carrasco, Carlos J.; Montilla, Francisco; Alvarez, Eleuterio; Mealli, Carlo; Manca, Gabriele; Galindo, Agustín |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 36 |
Pages of publication | 13711 - 13730 |
a | 20.18 ± 0.0014 Å |
b | 10.0629 ± 0.0007 Å |
c | 22.8645 ± 0.0016 Å |
α | 90° |
β | 105.041 ± 0.002° |
γ | 90° |
Cell volume | 4484 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0344 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0761 |
Weighted residual factors for all reflections included in the refinement | 0.0769 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7031710.html
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Users of the data should acknowledge the original authors of the
structural data.