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Information card for entry 4107582
Preview
Coordinates | 4107582.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H65 B N6 O3 Si |
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Calculated formula | C75 H65 B N6 O3 Si |
SMILES | [Si]123(Oc4ccc5cccc6ccc(c4c56)=[N]1CC)(Oc1ccc4cccc5ccc(c1c45)=[N]2CC)Oc1c2c(ccc4cccc(cc1)c24)=[N]3CC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC.N#CC |
Title of publication | Trisphenalenyl-Based Neutral Radical Molecular Conductor |
Authors of publication | Sushanta K. Pal; Mikhail E. Itkis; Fook S. Tham; Robert W. Reed; Richard T. Oakley; Robert C. Haddon |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 3942 - 3951 |
a | 11.3113 ± 0.0017 Å |
b | 15.823 ± 0.003 Å |
c | 17.556 ± 0.003 Å |
α | 82.735 ± 0.003° |
β | 75.471 ± 0.003° |
γ | 77.532 ± 0.004° |
Cell volume | 2961.2 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1257 |
Residual factor for significantly intense reflections | 0.0804 |
Weighted residual factors for significantly intense reflections | 0.1975 |
Weighted residual factors for all reflections included in the refinement | 0.2221 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4107582.html
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Users of the data should acknowledge the original authors of the
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