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Information card for entry 2019696
Preview
Coordinates | 2019696.cif |
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Structure factors | 2019696.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[dichlorido(μ~2~-1,4-phenylenediacetato-κ^2^<i>O</i>:<i>O</i>')bis{μ~2~-1,3-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}dizinc(II)] |
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Formula | C17 H16 Cl N6 O2 Zn |
Calculated formula | C17 H16 Cl N6 O2 Zn |
SMILES | [Zn]1(Cl)([n]2cn(nc2)Cc3cccc(c3)Cn2c[n](cn2)[Zn](Cl)([n]2cn(Cc3cccc(c3)Cn3c[n]1cn3)nc2)OC(=O)Cc1ccc(cc1)CC(=O)O[Zn]1(Cl)[n]2cn(nc2)Cc2cccc(c2)Cn2c[n](cn2)[Zn](Cl)[n]2cn(Cc3cccc(c3)Cn3c[n]1cn3)nc2)OC(=O)Cc1ccc(cc1)CC(=O)[O-] |
Title of publication | A one-dimensional Zn^II^ coordination polymer: poly[dichlorido(μ~2~-1,4-phenylenediacetato-κ^2^<i>O</i>:<i>O</i>')bis{μ~2~-1,3-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}dizinc(II)] |
Authors of publication | Xu, Xiao-Juan |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 11 |
Pages of publication | 1033 - 1035 |
a | 8.929 ± 0.002 Å |
b | 8.982 ± 0.002 Å |
c | 11.777 ± 0.003 Å |
α | 99.926 ± 0.003° |
β | 106.081 ± 0.003° |
γ | 91.596 ± 0.003° |
Cell volume | 891.1 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0959 |
Residual factor for significantly intense reflections | 0.0579 |
Weighted residual factors for significantly intense reflections | 0.1287 |
Weighted residual factors for all reflections included in the refinement | 0.1464 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
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/2019696.html
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