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Information card for entry 2207066
Preview
Coordinates | 2207066.cif |
---|---|
Structure factors | 2207066.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[bis[bis(1H-benzotriazole)zinc(II)]-μ~4~-benzene- 1,2,4,5-trtracarboxylato] |
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Formula | C34 H22 N12 O8 Zn2 |
Calculated formula | C34 H22 N12 O8 Zn2 |
SMILES | [Zn]1([n]2n[nH]c3c2cccc3)([n]2n[nH]c3c2cccc3)OC(=O)c2cc(c(C(=O)O[Zn]([n]3n[nH]c4c3cccc4)[n]3n[nH]c4c3cccc4)cc2C(=O)O[Zn]([n]2n[nH]c3c2cccc3)[n]2n[nH]c3c2cccc3)C(=O)O[Zn]([n]2n[nH]c3c2cccc3)([n]2n[nH]c3c2cccc3)OC(=O)c2cc(C(=O)O1)c(C(=O)[O-])cc2C(=O)[O-] |
Title of publication | <i>catena</i>-Poly[bis[bis(1<i>H</i>-benzotriazole)zinc(II)]-μ~4~-benzene-1,2,4,5-tetracarboxylato], a one-dimensional coordination polymer with double chains |
Authors of publication | Zhe An; Hao Sun; Rong-Shun Wang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 10 |
Pages of publication | m2157 - m2159 |
a | 7.7961 ± 0.0016 Å |
b | 19.346 ± 0.004 Å |
c | 10.732 ± 0.002 Å |
α | 90° |
β | 101.78 ± 0.03° |
γ | 90° |
Cell volume | 1584.5 ± 0.6 Å3 |
Cell temperature | 283 ± 2 K |
Ambient diffraction temperature | 283 ± 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 | 0.0502 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0814 |
Weighted residual factors for all reflections included in the refinement | 0.0864 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/2207066.html
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