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Information card for entry 7224992
Preview
Coordinates | 7224992.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H22 N6 S8 |
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Calculated formula | C26 H22 N6 S8 |
SMILES | C1(=C2/C(=S)N(CC)C(=C(C#N)C#N)S2)\C(=S)N(CC)C(=C(C#N)C#N)S1.S1C(SC(=C1C)C)=C1SC(=C(S1)C)C |
Title of publication | A sulfur-rich π-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt |
Authors of publication | Le Gal, Yann; Rajkumar, Mangaiyarkarasi; Vacher, Antoine; Dorcet, Vincent; Roisnel, Thierry; Fourmigué, Marc; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 21 |
Pages of publication | 3925 |
a | 7.2959 ± 0.0011 Å |
b | 8.7231 ± 0.0012 Å |
c | 12.7388 ± 0.0018 Å |
α | 102.719 ± 0.008° |
β | 101.011 ± 0.007° |
γ | 91.481 ± 0.007° |
Cell volume | 774.3 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0685 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.1016 |
Weighted residual factors for all reflections included in the refinement | 0.114 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation probe | x-ray |
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/7224992.html
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Users of the data should acknowledge the original authors of the
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