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Information card for entry 4502704
Preview
Coordinates | 4502704.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H24 As2 Cl2 S4 |
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Calculated formula | C20 H24 As2 Cl2 S4 |
SMILES | [As]1(Cl)SCc2c(c(c(cc2)CS[As](Cl)SCc2c(c(c(CS1)cc2)C)C)C)C |
Title of publication | A Surprising “Folded-In” Conformation of a Self-Assembled Arsenic-Thiolate Macrocycle |
Authors of publication | Cangelosi, Virginia M.; Zakharov, Lev N.; Crossland, Justin L.; Franklin, Broderick C.; Johnson, Darren W. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2010 |
Journal volume | 10 |
Journal issue | 4 |
Pages of publication | 1471 |
a | 16.383 ± 0.002 Å |
b | 11.0425 ± 0.0015 Å |
c | 13.9697 ± 0.0019 Å |
α | 90° |
β | 107.116 ± 0.002° |
γ | 90° |
Cell volume | 2415.3 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0504 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0915 |
Weighted residual factors for all reflections included in the refinement | 0.0994 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4502704.html
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