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Information card for entry 2204719
Preview
Coordinates | 2204719.cif |
---|---|
Structure factors | 2204719.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ- 4-carboxyimidazole-5-carboxylato(2-)-κ^4^N,O:N,O'] |
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Formula | C17 H10 Cu N4 O4 |
Calculated formula | C17 H10 Cu N4 O4 |
SMILES | [Cu]123([n]4cccc5ccc6ccc[n]1c6c45)(n1cnc(c1C(=O)O2)C(=O)O)[n]1cn2[Cu]4([n]5cccc6ccc7ccc[n]4c7c56)OC(=O)c2c1C(=[O]3)O |
Title of publication | <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N,N</i>')copper(II)]-μ-4-carboxyimidazole-5-carboxylato(2‒)-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>'] |
Authors of publication | Gu, Chang-Sheng; Gao, Shan; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 12 |
Pages of publication | m1852 - m1854 |
a | 10.36 ± 0.002 Å |
b | 9.6427 ± 0.0019 Å |
c | 14.352 ± 0.003 Å |
α | 90° |
β | 91.36 ± 0.03° |
γ | 90° |
Cell volume | 1433.3 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1115 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1038 |
Weighted residual factors for all reflections included in the refinement | 0.1235 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
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/2204719.html
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