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Information card for entry 7222103
Preview
Coordinates | 7222103.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H39 Br2 N5 O2 S |
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Calculated formula | C39 H39 Br2 N5 O2 S |
SMILES | [Br-].[Br-].S(=O)(=O)(N(CCn1c2ccccc2[n+](Cc2ccccc2)c1)CC[n+]1c2ccccc2n(Cc2ccccc2)c1)c1ccc(C)cc1 |
Title of publication | A novel potentiometric self-plasticizing polypyrrole sensor based on a bidentate bis-NHC ligand for determination of Hg(ii) cation |
Authors of publication | Said, Nur Rahimah; Rezayi, Majid; Narimani, Leila; Abdul Manan, Ninie Suhana; Alias, Yatimah |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 93 |
Pages of publication | 76263 |
a | 14.7495 ± 0.0009 Å |
b | 15.5216 ± 0.0008 Å |
c | 19.1751 ± 0.001 Å |
α | 108.72 ± 0.005° |
β | 100.073 ± 0.005° |
γ | 108.177 ± 0.005° |
Cell volume | 3761.1 ± 0.4 Å3 |
Cell temperature | 100.2 ± 0.8 K |
Ambient diffraction temperature | 100.2 ± 0.8 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 | 0.161 |
Residual factor for significantly intense reflections | 0.0977 |
Weighted residual factors for significantly intense reflections | 0.2737 |
Weighted residual factors for all reflections included in the refinement | 0.314 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/7222103.html
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