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Information card for entry 4000838
Preview
Coordinates | 4000838.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Me0.03EDO-TTF)2PF6 |
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Formula | C16.06 H12.12 F6 O4 P S8 |
Calculated formula | C16 H4 F6 O4 P S8 |
SMILES | [F-][P](F)(F)(F)(F)F.C1=CSC(=C2SC3=C(S2)OCCO3)S1.C1=CSC(=C2SC3=C(S2)OCCO3)S1 |
Title of publication | Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6 |
Authors of publication | Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro |
Journal of publication | Chemistry of Materials |
Year of publication | 2010 |
Journal volume | 22 |
Journal issue | 10 |
Pages of publication | 3121 |
a | 7.203 ± 0.001 Å |
b | 7.349 ± 0.0008 Å |
c | 11.965 ± 0.002 Å |
α | 93.495 ± 0.008° |
β | 75.196 ± 0.007° |
γ | 97.368 ± 0.008° |
Cell volume | 607.02 ± 0.15 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 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 | 0.0711 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1498 |
Weighted residual factors for all reflections included in the refinement | 0.1635 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4000838.html
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Users of the data should acknowledge the original authors of the
structural data.