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Information card for entry 2211869
Preview
Coordinates | 2211869.cif |
---|---|
Structure factors | 2211869.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[[diaquazinc(II)]-bis[μ-2-(2,4-difluorophenyl)-1,3- bis(1,2,4-triazol-1-yl)propan-2-ol)-κ^2^N^4^:N^4^]] perchlorate] |
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Formula | C26 H28 Cl2 F4 N12 O12 Zn |
Calculated formula | C26 H28 Cl2 F4 N12 O12 Zn |
SMILES | [Zn]1([OH2])([OH2])([n]2cn(nc2)CC(O)(c2ccc(F)cc2F)Cn2nc[n](c2)[Zn]([OH2])([OH2])[n]2cn(nc2)CC(O)(Cn2nc[n]1c2)c1ccc(F)cc1F)([n]1cn(nc1)CC(O)(c1ccc(F)cc1F)Cn1ncnc1)[n]1cn(nc1)CC(O)(c1ccc(F)cc1F)Cn1ncnc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | <i>catena</i>-Poly[[[diaquazinc(II)]-bis[μ-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-κ^2^<i>N</i>^4^:<i>N</i>^4^]] bis(perchlorate)] |
Authors of publication | Yun Ling; Lei Zhang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 1 |
Pages of publication | m4 - m6 |
a | 7.9134 ± 0.0017 Å |
b | 9.986 ± 0.002 Å |
c | 11.494 ± 0.003 Å |
α | 90.194 ± 0.003° |
β | 94.07 ± 0.003° |
γ | 111.031 ± 0.003° |
Cell volume | 845.2 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0303 |
Residual factor for significantly intense reflections | 0.0269 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
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/2211869.html
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