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Information card for entry 7014581
Preview
Coordinates | 7014581.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H8 As2 F12 N2 O6 S5 |
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Calculated formula | C20 H8 As2 F12 N2 O6 S5 |
SMILES | s1n[s+]c2c1C(=O)c1ccccc1C2=O.s1n[s+]c2c1C(=O)c1ccccc1C2=O.[As](F)(F)(F)(F)([F-])F.[As](F)(F)([F-])(F)(F)F.S(=O)=O |
Title of publication | A prototype hybrid 7π quinone-fused 1,3,2-dithiazolyl radical. |
Authors of publication | Decken, A.; Mailman, A.; Passmore, J.; Rautiainen, J. M.; Scherer, W.; Scheidt, E.-W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 4 |
Pages of publication | 868 - 879 |
a | 13.904 ± 0.0017 Å |
b | 15.1495 ± 0.0018 Å |
c | 14.0456 ± 0.0018 Å |
α | 90° |
β | 99.503 ± 0.002° |
γ | 90° |
Cell volume | 2917.9 ± 0.6 Å3 |
Cell temperature | 198 ± 1 K |
Ambient diffraction temperature | 198 ± 1 K |
Number of distinct elements | 7 |
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 | 0.0425 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0812 |
Weighted residual factors for all reflections included in the refinement | 0.0848 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation probe | x-ray |
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/7014581.html
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