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Information card for entry 7040327
Preview
Coordinates | 7040327.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H38 O4 S3 |
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Calculated formula | C36 H38 O4 S3 |
SMILES | c12cccc3c1OCCSCCSCCSCCOc1c(Cc4cccc(C3)c4O)cccc1Cc1cccc(c1O)C2 |
Title of publication | Sulphur-rich functionalized calix[4]arenes for selective complexation of Hg(2+) over Cu(2+), Zn(2+) and Cd(2). |
Authors of publication | Bensenane, Bachir; Asfari, Zouhair; Platas-Iglesias, Carlos; Esteban-Gómez, David; Djafri, Fatiha; Elhabiri, Mourad; Charbonnière, Loïc J |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 38 |
Pages of publication | 15211 - 15224 |
a | 10.2238 ± 0.0006 Å |
b | 11.8889 ± 0.0007 Å |
c | 14.4085 ± 0.0006 Å |
α | 75.855 ± 0.003° |
β | 78.337 ± 0.003° |
γ | 68.813 ± 0.002° |
Cell volume | 1570.86 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1823 |
Residual factor for significantly intense reflections | 0.0961 |
Weighted residual factors for significantly intense reflections | 0.1966 |
Weighted residual factors for all reflections included in the refinement | 0.2429 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7040327.html
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Users of the data should acknowledge the original authors of the
structural data.