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Information card for entry 1508381
Preview
Coordinates | 1508381.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H42 N2 O9 S34 |
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Calculated formula | C46 H42 N2 O9 S34 |
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 | 6.742 ± 0.003 Å |
b | 15.518 ± 0.007 Å |
c | 18.034 ± 0.007 Å |
α | 74.29 ± 0.03° |
β | 82.16 ± 0.04° |
γ | 80.36 ± 0.03° |
Cell volume | 1782.4 ± 1.4 Å3 |
Cell temperature | 294 K |
Ambient diffraction temperature | 294 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 significantly intense reflections | 0.0806 |
Weighted residual factors for all reflections included in the refinement | 0.0565 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1552 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508381.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508381.cif |
68922 | 2012-11-25 | cif/ Adding structures of 1508381 via cif-deposit CGI script. |
1508381.cif |
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Users of the data should acknowledge the original authors of the
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