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Information card for entry 7022661
Preview
Coordinates | 7022661.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H32 Cu F20 N14 O14 |
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Calculated formula | C48 H32 Cu F20 N14 O14 |
SMILES | c1(c(c(c(c(c1F)F)F)F)F)NC(=O)Nc1c[n](ccc1)[Cu]([OH2])([n]1cc(NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)ccc1)([n]1cccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1)([n]1cc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)ccc1)[OH2].O=N(=O)[O-].O.O=N(=O)[O-].O |
Title of publication | Selective recognition of sulphate in a Cu(II) assisted 1D polymer of a simple pentafluorophenyl substituted pyridyl-urea via second sphere coordination. |
Authors of publication | Akhuli, Bidyut; Ghosh, Pradyut |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 16 |
Pages of publication | 5818 - 5825 |
a | 32.1757 ± 0.0018 Å |
b | 8.1355 ± 0.0005 Å |
c | 25.9525 ± 0.0015 Å |
α | 90° |
β | 119.347 ± 0.001° |
γ | 90° |
Cell volume | 5921.6 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0696 |
Residual factor for significantly intense reflections | 0.0411 |
Weighted residual factors for significantly intense reflections | 0.1014 |
Weighted residual factors for all reflections included in the refinement | 0.1178 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7022661.html
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Users of the data should acknowledge the original authors of the
structural data.