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Information card for entry 1551783
Preview
| Coordinates | 1551783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H46 Cl6 Cu4 O13 |
|---|---|
| Calculated formula | C19 H46 Cl6 Cu4 O13 |
| SMILES | [Cu]123([Cl][Cu]45([Cl][Cu]6([Cl][Cu]([Cl]1)([Cl]4)([O]356)[O]1CCOCC1)([Cl]2)[O]1CCOCC1)[O]1CCOCC1)[O]1CCOCC1.OC.OC.OC.O |
| Title of publication | Crystal Structure of Hexa-μ2-chloro-μ4-oxo-tetrakis[(1,4-dioxane-κO4)copper(II)] |
| Authors of publication | CUI, Zining; MA, Yongqiang; LING, Yun; YANG, Xinling |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 79 |
| a | 13.542 ± 0.003 Å |
| b | 12.7 ± 0.003 Å |
| c | 22.049 ± 0.004 Å |
| α | 90° |
| β | 103.72 ± 0.03° |
| γ | 90° |
| Cell volume | 3683.9 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1328 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.1008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216395 (current) | 2019-06-20 | cif/ Adding structures of 1551783 via cif-deposit CGI script. |
1551783.cif |
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