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Information card for entry 1564134
Preview
Coordinates | 1564134.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H34 Cd4 Cl2 N4 O26 |
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Calculated formula | C28 H34 Cd4 Cl2 N4 O26 |
SMILES | C1(=O)c2[n]3c(C(=[O][Cd]453(Cl)([O]1[Cd]13([OH2])([n]6c(C(O)=[O]41)cccc6C(=O)O3)([OH2])[OH2])[OH][Cd]134([n]6c(C(=O)[O]1[Cd]17([n]8c(C(=[O]41)O)cccc8C(=O)O7)([OH2])([OH2])[OH2])cccc6C(=[O]3)O)([OH]5)Cl)O)ccc2.O.O |
Title of publication | Synthesis, characterization and DFT studies of water stable Cd(II) metal‒organic clusters with better adsorption property towards the organic pollutant in waste water |
Authors of publication | Kamal, Samrah; Khalid, Mohd; Shahnawaz Khan, M.; Shahid, M.; Ashafaq, Mo.; I., Mantasha; Shahwaz Ahmad, M.; Ahmad, Musheer; Faizan, Mohd; Ahmad, Shabbir |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 512 |
Pages of publication | 119872 |
a | 8.7148 ± 0.0003 Å |
b | 10.8555 ± 0.0003 Å |
c | 12.0902 ± 0.0004 Å |
α | 70.224 ± 0.001° |
β | 80.437 ± 0.001° |
γ | 70.204 ± 0.001° |
Cell volume | 1011 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0477 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0928 |
Weighted residual factors for all reflections included in the refinement | 0.0983 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
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/1564134.html
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Users of the data should acknowledge the original authors of the
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