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Information card for entry 2229114
Preview
Coordinates | 2229114.cif |
---|---|
Structure factors | 2229114.hkl |
Original IUCr paper | HTML |
Chemical name | (2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')chlorido(DL-threoninato-κ^2^<i>N</i>,<i>O</i>^1^)copper(II) monohydrate |
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Formula | C14 H18 Cl Cu N3 O4 |
Calculated formula | C14 H18 Cl Cu N3 O4 |
SMILES | [Cu]12(Cl)(OC(=O)[C@H]([NH2]2)[C@@H](O)C)[n]2ccccc2c2[n]1cccc2.O.[Cu]12(Cl)(OC(=O)[C@@H]([NH2]2)[C@H](O)C)[n]2ccccc2c2[n]1cccc2.O |
Title of publication | (2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')chlorido(<small>DL</small>-threoninato-κ^2^<i>N</i>,<i>O</i>^1^)copper(II) monohydrate |
Authors of publication | Tan, Yi-Han; Teoh, Siang-Guan; Rosli, Mohd Mustaqim; Fun, Hoong-Kun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 2 |
Pages of publication | m262 |
a | 7.4825 ± 0.0001 Å |
b | 12.0378 ± 0.0002 Å |
c | 18.2083 ± 0.0003 Å |
α | 90° |
β | 99.097 ± 0.001° |
γ | 90° |
Cell volume | 1619.44 ± 0.04 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0808 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/2229114.html
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