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Information card for entry 1508380
Preview
Coordinates | 1508380.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H44 N2 O6 P2 S2 |
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Calculated formula | C54 H44 N2 O6 P2 S2 |
SMILES | S(=O)(=O)([O-])N=C1C=CC(=NS(=O)(=O)[O-])C=C1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine |
Authors of publication | Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S. |
Journal of publication | Crystals |
Year of publication | 2012 |
Journal volume | 2 |
Journal issue | 2 |
Pages of publication | 182 - 192 |
a | 9.859 ± 0.002 Å |
b | 13.683 ± 0.004 Å |
c | 9.664 ± 0.002 Å |
α | 105.04 ± 0.02° |
β | 93.651 ± 0.018° |
γ | 110.735 ± 0.02° |
Cell volume | 1159.9 ± 0.5 Å3 |
Cell temperature | 295.1 K |
Ambient diffraction temperature | 295.1 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 significantly intense reflections | 0.0412 |
Weighted residual factors for all reflections included in the refinement | 0.0546 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
Diffraction radiation wavelength | 0.71069 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/1508380.html
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