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Information card for entry 1508468
Preview
Coordinates | 1508468.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H16 Pd2 S20 Sb |
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Calculated formula | C18 H16 Pd2 S20 Sb |
SMILES | [Sb](CC)(C)(C)CC.[Pd]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.[Pd]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2 |
Title of publication | Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) |
Authors of publication | Kato, Reizo; Hengbo, Cui |
Journal of publication | Crystals |
Year of publication | 2012 |
Journal volume | 2 |
Journal issue | 3 |
Pages of publication | 861 - 874 |
a | 14.628 ± 0.004 Å |
b | 6.4235 ± 0.0015 Å |
c | 37.577 ± 0.009 Å |
α | 90° |
β | 97.577 ± 0.002° |
γ | 90° |
Cell volume | 3500 ± 1.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0467 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0899 |
Weighted residual factors for all reflections included in the refinement | 0.092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1508468.html
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