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Information card for entry 7036061
Preview
Coordinates | 7036061.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H17 Mo N O5 |
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Calculated formula | C18 H17 Mo N O5 |
SMILES | [Mo]12(=O)(Oc3c(C=[N]2c2ccccc2)cccc3)([O]=C(C)C=C(O1)C)=O |
Title of publication | Immobilisation of a molecular epoxidation catalyst on UiO-66 and -67: the effect of pore size on catalyst activity and recycling. |
Authors of publication | Kaposi, Marlene; Cokoja, Mirza; Hutterer, Christine H.; Hauser, Simone A.; Kaposi, Tobias; Klappenberger, Florian; Pöthig, Alexander; Barth, Johannes V.; Herrmann, Wolfgang A.; Kühn, Fritz E |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 36 |
Pages of publication | 15976 - 15983 |
a | 7.0807 ± 0.0001 Å |
b | 9.411 ± 0.0001 Å |
c | 14.0768 ± 0.0002 Å |
α | 93.622 ± 0.001° |
β | 99.297 ± 0.001° |
γ | 111.59 ± 0.001° |
Cell volume | 853.04 ± 0.02 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0176 |
Residual factor for significantly intense reflections | 0.0166 |
Weighted residual factors for significantly intense reflections | 0.0421 |
Weighted residual factors for all reflections included in the refinement | 0.0426 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/7036061.html
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Users of the data should acknowledge the original authors of the
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