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Information card for entry 2015406
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Coordinates | 2015406.cif |
---|---|
Structure factors | 2015406.hkl |
Original IUCr paper | HTML |
Chemical name | hexa-μ~2~-chloro-chloro-μ~4~-oxo-tetrakis(pyridine N-oxide- κO)tetracopper(II) 0.2-hydrate |
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Formula | C20 H20 Cl6 Cu4 N4 O5 |
Calculated formula | C20 H20 Cl6 Cu4 N4 O5 |
SMILES | [Cu]123([Cl][Cu]45([Cl][Cu]6([Cl][Cu]([Cl]1)([Cl]4)([O]356)[O]=n1ccccc1)([Cl]2)[O]=n1ccccc1)[O]=n1ccccc1)[O]=n1ccccc1 |
Title of publication | Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit |
Authors of publication | Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 7 |
Pages of publication | m311 - m314 |
a | 11.638 ± 0.003 Å |
b | 16.237 ± 0.004 Å |
c | 17.139 ± 0.004 Å |
α | 106.249 ± 0.005° |
β | 102.401 ± 0.006° |
γ | 94.255 ± 0.005° |
Cell volume | 3005.5 ± 1.3 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 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 | 0.1545 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.0773 |
Weighted residual factors for all reflections included in the refinement | 0.0947 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2015406.html
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