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Information card for entry 2204648
Preview
Coordinates | 2204648.cif |
---|---|
Structure factors | 2204648.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[[aqua(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ-4-sulfonatobenzoato- κ^2^O^4^:O^1^] |
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Formula | C19 H14 Cu N2 O6 S |
Calculated formula | C19 H14 Cu N2 O6 S |
SMILES | [Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1ccc(S(=O)(=O)[O-])cc1)([OH2])OS(=O)(=O)c1ccc(C(=O)O[Cu]2[n]3cccc4ccc5ccc[n]2c5c34)cc1.O |
Title of publication | Poly[[aqua(1,10-phenanthroline-κ^2^<i>N,N</i>')copper(II)]-μ-4-sulfonatobenzoato-κ^2^<i>O</i>^4^:<i>O</i>^1^] |
Authors of publication | Fan, Sai-Rong; Xiao, Hong-Ping; Zhang, Li-Ping; Cai, Guo-Qiang; Zhu, Long-Guan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 12 |
Pages of publication | m1970 - m1972 |
a | 9.6864 ± 0.0013 Å |
b | 9.9047 ± 0.0014 Å |
c | 10.8332 ± 0.0015 Å |
α | 66.933 ± 0.002° |
β | 77.581 ± 0.002° |
γ | 64.206 ± 0.002° |
Cell volume | 859.7 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0282 |
Residual factor for significantly intense reflections | 0.0269 |
Weighted residual factors for significantly intense reflections | 0.0743 |
Weighted residual factors for all reflections included in the refinement | 0.0751 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/2204648.html
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