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Information card for entry 2207707
Preview
Coordinates | 2207707.cif |
---|---|
Structure factors | 2207707.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[[bromomercury(II)]-di-μ-bromo-κ^4^Br:Br-[bromomercury(II)]- μ-1,4-bis(benzylsulfanyl)butane-κ^2^S:S'] |
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Formula | C9 H11 Br2 Hg S |
Calculated formula | C9 H11 Br2 Hg S |
SMILES | [Hg](Br)(Br)[S](Cc1ccccc1)CCCC[S]([Hg](Br)Br)Cc1ccccc1 |
Title of publication | <i>catena</i>-Poly[[bromomercury(II)]-di-μ-bromo-κ^4^<i>Br</i>:<i>Br</i>-[bromomercury(II)]-μ-1,4-bis(benzylsulfanyl)butane-κ^2^<i>S</i>:<i>S</i>'] |
Authors of publication | Che, Guang-Bo; Liu, Chun-Bo; Cui, Yun-Cheng; Li, Chuan-Bi |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 12 |
Pages of publication | m2704 - m2705 |
a | 7.8468 ± 0.0016 Å |
b | 8.8428 ± 0.0018 Å |
c | 9.6395 ± 0.0019 Å |
α | 70.08 ± 0.03° |
β | 75.26 ± 0.03° |
γ | 88.53 ± 0.03° |
Cell volume | 606.8 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.055 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.115 |
Weighted residual factors for all reflections included in the refinement | 0.122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2207707.html
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