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Information card for entry 4343624
Preview
Coordinates | 4343624.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H8 Cu N4 S16 |
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Calculated formula | C28 H8 Cu N4 S16 |
SMILES | [Cu]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.S1c2c(SC1=C1Sc3c(S1)csc3)csc2.S1c2c(SC1=C1Sc3c(S1)csc3)csc2 |
Title of publication | Dithiophene-TTF Salts; New Ladder Structures and Spin-Ladder Behavior. |
Authors of publication | Silva, Rafaela A. L.; Santos, Isabel C.; Wright, Jonathan; Coutinho, Joana T.; Pereira, Laura C. J.; Lopes, Elsa B.; Rabaça, Sandra; Vidal-Gancedo, José; Rovira, Concepció; Almeida, Manuel; Belo, Dulce |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 14 |
Pages of publication | 7000 - 7006 |
a | 7.6977 ± 0.0006 Å |
b | 16.6382 ± 0.0012 Å |
c | 26.955 ± 0.002 Å |
α | 78.618 ± 0.003° |
β | 89.931 ± 0.002° |
γ | 76.638 ± 0.003° |
Cell volume | 3289.2 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0513 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.1129 |
Weighted residual factors for all reflections included in the refinement | 0.1143 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.3 |
Diffraction radiation wavelength | 0.2952 Å |
Diffraction radiation type | synchrotron |
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/4343624.html
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Users of the data should acknowledge the original authors of the
structural data.