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Information card for entry 4115480
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Coordinates | 4115480.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Perchlorophenalenyl |
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Chemical name | Perchlorophenalenyl |
Formula | C13 Cl9 |
Calculated formula | C13 Cl9 |
SMILES | c12c(Cl)c(Cl)c(Cl)c3c1c(c(Cl)c(Cl)c2Cl)C(Cl)=C(Cl)[C]3Cl |
Title of publication | Perchlorophenalenyl Radical |
Authors of publication | P. A. Koutentis; Y. Chen; Y. Cao; T. P. Best; M. E. Itkis; L. Beer; R. T. Oakley; A. W. Cordes; C. P. Brock; R. C. Haddon |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2001 |
Journal volume | 123 |
Pages of publication | 3864 - 3871 |
a | 18.704 ± 0.003 Å |
b | 18.704 ± 0.003 Å |
c | 3.7792 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1145 ± 0.3 Å3 |
Cell temperature | 299 ± 1 K |
Ambient diffraction temperature | 299 ± 1 K |
Number of distinct elements | 2 |
Space group number | 160 |
Hermann-Mauguin space group symbol | R 3 m :H |
Hall space group symbol | R 3 -2" |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.1 |
Weighted residual factors for all reflections included in the refinement | 0.1 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
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/4115480.html
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