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Information card for entry 7015343
Preview
Coordinates | 7015343.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H16 Cu N2 O8 S |
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Calculated formula | C11 H16 Cu N2 O8 S |
SMILES | c12ccccc1[N]1[Cu](OS2(=O)=O)([OH2])([OH2])OC(=C(N=1)C(=O)C)C.O |
Title of publication | Complexes of copper(II) with 3-(ortho-substituted phenylhydrazo)pentane-2,4-diones: syntheses, properties and catalytic activity for cyclohexane oxidation. |
Authors of publication | Kopylovich, Maximilian N.; Nunes, Andreia C. C.; Mahmudov, Kamran T.; Haukka, Matti; Mac Leod, Tatiana C. O.; Martins, Luísa M D R S; Kuznetsov, Maxim L.; Pombeiro, Armando J. L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 12 |
Pages of publication | 2822 - 2836 |
a | 11.3561 ± 0.0003 Å |
b | 9.1757 ± 0.0003 Å |
c | 15.5166 ± 0.0004 Å |
α | 90° |
β | 110.876 ± 0.002° |
γ | 90° |
Cell volume | 1510.69 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0425 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0765 |
Weighted residual factors for all reflections included in the refinement | 0.0809 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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