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Information card for entry 4118500
Preview
Coordinates | 4118500.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H20 F6 O4 S8 Sb |
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Calculated formula | C20 H20 F6 O4 S8 Sb |
Title of publication | Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb) |
Authors of publication | Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 13330 - 13340 |
a | 7.886 ± 0.003 Å |
b | 14.398 ± 0.003 Å |
c | 7.076 ± 0.003 Å |
α | 90.58 ± 0.02° |
β | 117.22 ± 0.02° |
γ | 80.58 ± 0.02° |
Cell volume | 702.9 ± 0.4 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 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 all reflections | 0.0857 |
Residual factor for significantly intense reflections | 0.0648 |
Weighted residual factors for significantly intense reflections | 0.1885 |
Weighted residual factors for all reflections included in the refinement | 0.2065 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4118500.html
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