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Information card for entry 7004322
Preview
Coordinates | 7004322.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H16 I S8 |
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Calculated formula | C16 H16 I S8 |
SMILES | C1(SC=CS1)=C1SC(=C(C)S1)C.[I-].C1(SC=CS1)=C1SC(=C(C)S1)C |
Title of publication | A series of strongly one-dimensional organic metals with strictly uniform stacks: (o-DMTTF)2X (X = Cl, Br, I) |
Authors of publication | Fourmigué, Marc; Reinheimer, Eric W.; Dunbar, Kim R.; Auban-Senzier, Pascale; Pasquier, Claude; Coulon, Claude |
Journal of publication | Dalton Transactions |
Year of publication | 2008 |
Journal issue | 34 |
Pages of publication | 4652 |
a | 17.4031 ± 0.0002 Å |
b | 17.4031 ± 0.0002 Å |
c | 7.0978 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2149.7 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 122 |
Hermann-Mauguin space group symbol | I -4 2 d |
Hall space group symbol | I -4 2bw |
Residual factor for all reflections | 0.0235 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.0575 |
Weighted residual factors for all reflections included in the refinement | 0.0584 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
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/7004322.html
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