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Information card for entry 7022660
Preview
Coordinates | 7022660.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H48 Co F15 N13 O12 S |
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Calculated formula | C48 H48 Co F15 N13 O12 S |
SMILES | [Co]([n]1cccc(c1)NC(=O)Nc1c(c(c(c(c1F)F)F)F)F)([n]1cc(ccc1)NC(=O)Nc1c(c(c(c(c1F)F)F)F)F)([n]1cc(ccc1)NC(=O)Nc1c(c(c(c(c1F)F)F)F)F)([O]=CN(C)C)([O]=CN(C)C)OS(=O)(=O)[O-].CN(C)C=O.N(C=O)(C)C.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 | 17.833 ± 0.002 Å |
b | 12.8082 ± 0.0017 Å |
c | 26.372 ± 0.003 Å |
α | 90° |
β | 105.751 ± 0.003° |
γ | 90° |
Cell volume | 5797.4 ± 1.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0416 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.088 |
Weighted residual factors for all reflections included in the refinement | 0.0927 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
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/7022660.html
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Users of the data should acknowledge the original authors of the
structural data.