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Information card for entry 7017238
Preview
Coordinates | 7017238.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H48 As2 S6 |
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Calculated formula | C48 H48 As2 S6 |
SMILES | S1[As]2SCc3ccc(CCc4ccc(CS[As](SCc5ccc(cc5)CCc5ccc(cc5)CS2)SCc2ccc(CCc5ccc(C1)cc5)cc2)cc4)cc3 |
Title of publication | Design, synthesis and characterization of self-assembled As(2)L(3) and Sb(2)L(3) cryptands. |
Authors of publication | Fontenot, Sean A.; Cangelosi, Virginia M.; Pitt, Melanie A. W.; Sather, Aaron C.; Zakharov, Lev N.; Berryman, Orion B.; Johnson, Darren W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 45 |
Pages of publication | 12125 - 12131 |
a | 30.468 ± 0.003 Å |
b | 13.642 ± 0.0012 Å |
c | 11.0855 ± 0.001 Å |
α | 90° |
β | 106.397 ± 0.001° |
γ | 90° |
Cell volume | 4420.2 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.067 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.121 |
Weighted residual factors for all reflections included in the refinement | 0.1416 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
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/7017238.html
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