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Information card for entry 7059360
Preview
Coordinates | 7059360.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H24 Cl2 Fe N3 O3 |
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Calculated formula | C22 H24 Cl2 Fe N3 O3 |
Title of publication | Multivariate analysis applied to oxidation of cyclohexane and benzyl alcohol promoted by mononuclear iron and copper complexes |
Authors of publication | Vailati, Andrei F.; Huelsmann, Ricardo D.; Martendal, Edmar; Bortoluzzi, Adailton J.; Xavier, Fernando R.; Peralta, Rosely A. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 6 |
Pages of publication | 2514 - 2526 |
a | 7.3274 ± 0.0004 Å |
b | 11.8379 ± 0.0006 Å |
c | 13.4518 ± 0.0007 Å |
α | 91.845 ± 0.001° |
β | 90.549 ± 0.001° |
γ | 106.416 ± 0.001° |
Cell volume | 1118.46 ± 0.1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0534 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0729 |
Weighted residual factors for all reflections included in the refinement | 0.0811 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7059360.html
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Users of the data should acknowledge the original authors of the
structural data.