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Information card for entry 7031107
Preview
Coordinates | 7031107.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H10 Cl6 Mo2 O5 S |
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Calculated formula | C8 H10 Cl6 Mo2 O5 S |
SMILES | c1(ccc(cc1)C)S1(=[O][Mo]2(Cl)(Cl)([Cl][Mo]([Cl]2)(Cl)(Cl)(=O)[O]=1)=O)OC |
Title of publication | Synthesis of di- and tetranuclear oxido-molybdenum(v) complexes containing p-toluenesulfonates as ligands: a joint spectroscopic, crystallographic and computational study. |
Authors of publication | Bortoluzzi, Marco; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 26 |
Pages of publication | 10157 - 10163 |
a | 8.7761 ± 0.001 Å |
b | 8.8272 ± 0.001 Å |
c | 12.3449 ± 0.0014 Å |
α | 80.26 ± 0.001° |
β | 71.823 ± 0.001° |
γ | 86.013 ± 0.001° |
Cell volume | 895.38 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0832 |
Weighted residual factors for all reflections included in the refinement | 0.0881 |
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/7031107.html
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Users of the data should acknowledge the original authors of the
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