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Information card for entry 7218670
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Coordinates | 7218670.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bis(ethylenedithio)tetrathiafulvalenium_tetrabromomanganate(II)_dichlorobenzene_(4/1/1) |
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Formula | C46 H36 Br4 Cl2 Mn S32 |
Calculated formula | C46 H36 Br4 Cl2 Mn S32 |
Title of publication | Phase transitions in θ-(ET)4MnBr4(C6H6−nCln) (n = 1, 2) driven by ordering in anion and/or cation layers |
Authors of publication | Zhilyaeva, Elena I.; Shilov, Gennadii V.; Torunova, Svetlana A.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergey I.; Aldoshin, Sergey M.; Lyubovskaya, Rimma N. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 43 |
Pages of publication | 10103 |
a | 9.733 ± 0.004 Å |
b | 9.733 ± 0.004 Å |
c | 74.51 ± 0.02 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7058 ± 5 Å3 |
Cell temperature | 333 ± 2 K |
Ambient diffraction temperature | 333 ± 2 K |
Number of distinct elements | 6 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.2577 |
Residual factor for significantly intense reflections | 0.0474 |
Weighted residual factors for significantly intense reflections | 0.0767 |
Weighted residual factors for all reflections included in the refinement | 0.0875 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
Diffraction radiation wavelength | 0.71073 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/7218670.html
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