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Information card for entry 2221372
Preview
| Coordinates | 2221372.cif |
|---|---|
| Structure factors | 2221372.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido-2κ^2^<i>Cl</i>-{μ-6,6'-dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^: 2κ^2^<i>O</i>^1^,<i>O</i>^1'^}copper(II)zinc(II) |
|---|---|
| Formula | C19 H20 Cl2 Cu N2 O4 Zn |
| Calculated formula | C19 H20 Cl2 Cu N2 O4 Zn |
| SMILES | [Zn]1(Cl)(Cl)[O]2[Cu]34[N](=Cc5c(c(OC)ccc5)[O]13)CCC[N]4=Cc1c2c(OC)ccc1 |
| Title of publication | Dichlorido-2κ^2^<i>Cl</i>-{μ-6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato-1κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^:2κ^2^<i>O</i>^1^,<i>O</i>^1'^}copper(II)zinc(II) |
| Authors of publication | Liu, Qingyun; Ge, Shengsong; Cui, Guangwen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2009 |
| Journal volume | 65 |
| Journal issue | 4 |
| Pages of publication | m359 |
| a | 13.0181 ± 0.0009 Å |
| b | 10.8503 ± 0.0008 Å |
| c | 14.7758 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2087.1 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0355 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0741 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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/2221372.html
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