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Information card for entry 4304885
Preview
Coordinates | 4304885.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 Hg I2 O2 S2 |
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Calculated formula | C18 H20 Hg I2 O2 S2 |
SMILES | [Hg]1(I)(I)[S]2Cc3c(OCCOc4c(C[S]1CC2)cccc4)cccc3 |
Title of publication | Ligand- and Anion-Directed Assembly of Exo-Coordinated Mercury(II) Halide Complexes with O2S2-Donor Macrocycles |
Authors of publication | So Young Lee; Sunhong Park; Hyun Jee Kim; Jong Hwa Jung; Shim Sung Lee |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 1913 - 1915 |
a | 18.3775 ± 0.0008 Å |
b | 11.5386 ± 0.0005 Å |
c | 21.4632 ± 0.001 Å |
α | 90° |
β | 106.114 ± 0.001° |
γ | 90° |
Cell volume | 4372.5 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0803 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for significantly intense reflections | 0.0955 |
Weighted residual factors for all reflections included in the refinement | 0.1039 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
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/4304885.html
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