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Information card for entry 1508382
Preview
Coordinates | 1508382.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H16 Br0.79 Cl1.21 Cu S16 |
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Calculated formula | C20 H16 Br0.794 Cl1.206 Cu S16 |
Title of publication | New BEDT-TTF Radical Cation Salt with Mixed Anions: α'-[BEDT-TTF]2[CuBr2]0.4[CuCl2]0.6 |
Authors of publication | Kubo, Kazuya; Yamashita, Masahiro |
Journal of publication | Crystals |
Year of publication | 2012 |
Journal volume | 2 |
Journal issue | 2 |
Pages of publication | 284 - 293 |
a | 7.8124 ± 0.0014 Å |
b | 6.6564 ± 0.0011 Å |
c | 30.444 ± 0.006 Å |
α | 90° |
β | 96.062 ± 0.002° |
γ | 90° |
Cell volume | 1574.3 ± 0.5 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.0417 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0747 |
Weighted residual factors for all reflections included in the refinement | 0.0803 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.188 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
210192 (current) | 2018-08-28 | cif/1/50/83/ Updating bibliography in entry 1508382. |
1508382.cif |
176729 | 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. |
1508382.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508382.cif |
68923 | 2012-11-25 | cif/ Adding structures of 1508382 via cif-deposit CGI script. |
1508382.cif |
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Users of the data should acknowledge the original authors of the
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