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Information card for entry 2013883
Preview
Coordinates | 2013883.cif |
---|---|
Structure factors | 2013883.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[bis[(2,2-bipyridine-κ^2^N,N')cobalt(II)]-μ-1,2,4,5- benzenetetracarboxylato-κ^4^O^1^:O^2^:O^3^:O^4^] |
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Formula | C15 H9 Cu N2 O4 |
Calculated formula | C30 H18 Cu2 N4 O8 |
SMILES | [Cu]1([n]2ccccc2c2[n]1cccc2)OC(=O)c1c2C(=O)O[Cu]3([n]4ccccc4c4[n]3cccc4)OC(=O)c3c(C(=O)[O-])cc(C(=O)[O-])c(c3)C(=O)O[Cu]3([n]4ccccc4c4[n]3cccc4)OC(=O)c(c2)c(c1)C(=O)O[Cu]1[n]2ccccc2c2[n]1cccc2 |
Title of publication | <i>catena</i>-Poly[bis[(2,2-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~4~-1,2,4,5-benzenetetracarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3^:<i>O</i>^4^] |
Authors of publication | Xiao, Hong-Ping; Li, Xin-Hua; Yuan, Ji-Xin; Hu, Mao-Lin |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 2 |
Pages of publication | m63 - m64 |
a | 7.2794 ± 0.0007 Å |
b | 12.5009 ± 0.0012 Å |
c | 14.4436 ± 0.0014 Å |
α | 90° |
β | 104.021 ± 0.002° |
γ | 90° |
Cell volume | 1275.2 ± 0.2 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 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 | 0.0376 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0858 |
Weighted residual factors for all reflections included in the refinement | 0.0869 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
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.
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