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Information card for entry 2213322
Preview
Coordinates | 2213322.cif |
---|---|
Structure factors | 2213322.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ~2~-hydroxydi-2-pyridylmethanolato- κ^4^<i>N</i>,O:O,<i>N'</i>)bis[(pyridine-κ<i>N</i>)copper(II)] bis(perchlorate) |
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Formula | C32 H28 Cl2 Cu2 N6 O12 |
Calculated formula | C32 H28 Cl2 Cu2 N6 O12 |
SMILES | [Cu]123([O]6C(O)(c4[n]1cccc4)c4cccc[n]4[Cu]56([n]1ccccc1)[n]1ccccc1C(O)([O]35)c1[n]2cccc1)[n]1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Bis(μ~2~-hydroxydi-2-pyridylmethanolato- κ^4^<i>N</i>,<i>O</i>:<i>O</i>,<i>N</i>')bis[(pyridine-κ<i>N</i>)copper(II)] bis(perchlorate) |
Authors of publication | Li, Ya-Min; Zhang, Jing-Lai; Zhao, Xiao-Wei |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 5 |
Pages of publication | m1510 - m1510 |
a | 11.2269 ± 0.0006 Å |
b | 15.7136 ± 0.0008 Å |
c | 19.6142 ± 0.0012 Å |
α | 90° |
β | 104.034 ± 0.003° |
γ | 90° |
Cell volume | 3357 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0484 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.1012 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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/2213322.html
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