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Information card for entry 2211663
Preview
Coordinates | 2211663.cif |
---|---|
Structure factors | 2211663.hkl |
Original IUCr paper | HTML |
Chemical name | {4,6-Dichloro-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4- yl)iminomethyl]phenolato-κ^2^N,O}copper(II) |
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Formula | C36 H28 Cl4 Cu N6 O4 |
Calculated formula | C36 H28 Cl4 Cu N6 O4 |
SMILES | [N]1(=Cc2c(O[Cu]31[N](C1=C(C)N(C)N(C1=O)c1ccccc1)=Cc1c(O3)c(cc(c1)Cl)Cl)c(cc(c2)Cl)Cl)C1=C(C)N(C)N(C1=O)c1ccccc1 |
Title of publication | {4,6-Dichloro-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}copper(II) |
Authors of publication | Guo-Bing Yan; Ming-Hua Yang; Yun-Fa Zheng |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 12 |
Pages of publication | m3481 - m3482 |
a | 23.4341 ± 0.0017 Å |
b | 6.7434 ± 0.0005 Å |
c | 22.6048 ± 0.0016 Å |
α | 90° |
β | 91.57 ± 0.001° |
γ | 90° |
Cell volume | 3570.8 ± 0.4 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0422 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2211663.html
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