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Information card for entry 2224932
Preview
Coordinates | 2224932.cif |
---|---|
Structure factors | 2224932.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[[[diaquacopper(II)]-bis(μ~2~-di-4-pyridyl disulfide-κ^2^<i>N</i>:</i>N</i>')] bis(hydrogen phthalate) monohydrate] |
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Formula | C36 H32 Cu N4 O11 S4 |
Calculated formula | C36 H32 Cu N4 O11 S4 |
SMILES | [Cu]1([n]2ccc(cc2)SSc2ccncc2)([n]2ccc(cc2)SSc2ccncc2)([OH2])([OH2])[n]2ccc(SSc3cc[n]([Cu]([n]4ccc(cc4)SSc4cc[n]1cc4)([OH2])[OH2])cc3)cc2.O.O=C(O)c1c(cccc1)C(=O)[O-].OC(=O)c1c(cccc1)C(=O)[O-].O.O=C(O)c1c(cccc1)C(=O)[O-].OC(=O)c1c(cccc1)C(=O)[O-] |
Title of publication | <i>catena</i>-Poly[[[diaquacopper(II)]-bis(μ~2~-di-4-pyridyl disulfide-κ^2^<i>N</i>:<i>N</i>')] bis(hydrogen phthalate) monohydrate] |
Authors of publication | Zhu, Hong-Lin; Zhang, Jie; Lin, Jian-Li |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 2 |
Pages of publication | m185 |
a | 20.253 ± 0.004 Å |
b | 10.732 ± 0.002 Å |
c | 17.228 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3744.6 ± 1.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.079 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.0723 |
Weighted residual factors for all reflections included in the refinement | 0.081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/2224932.html
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