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Information card for entry 7201237
Preview
Coordinates | 7201237.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H22 Br N2 O2 S12 |
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Calculated formula | C22 H22 Br N2 O2 S12 |
Title of publication | Charge ordering, symmetry and electronic structure issues and Wigner crystal structure of the quarter-filled band Mott insulators and high pressure metals δ-(EDT-TTF-CONMe2)2X, X = Br and AsF6 |
Authors of publication | Zorina, Leokadiya; Simonov, Sergey; Mézière, Cécile; Canadell, Enric; Suh, Steve; Brown, Stuart E.; Foury-Leylekian, Pascale; Fertey, Pierre; Pouget, Jean-Paul; Batail, Patrick |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2009 |
Journal volume | 19 |
Journal issue | 38 |
Pages of publication | 6980 |
a | 6.9762 ± 0.0009 Å |
b | 6.48 ± 0.0012 Å |
c | 32.671 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 92.446 ± 0.018° |
Cell volume | 1475.6 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 1 21/a |
Hall space group symbol | -P 2ac |
Residual factor for all reflections | 0.1026 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for significantly intense reflections | 0.1274 |
Weighted residual factors for all reflections included in the refinement | 0.1421 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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