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Information card for entry 7008019
Preview
Coordinates | 7008019.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H25 Cl2 Hg N O10 S2 |
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Calculated formula | C20 H25 Cl2 Hg N O10 S2 |
SMILES | [Hg]1234([S]5Cc6c([O]2CC[O]3c2c(C[S]1CC[NH]4CC5)cccc2)cccc6)OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-] |
Title of publication | Cadmium(II) and mercury(II) complexes of an NO2S2-donor macrocycle and its ditopic xylyl-bridged analogue. |
Authors of publication | Jin, Yongri; Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Moon, Seok-Tae; Kim, Jineun; Han, Sang Woo; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 4 |
Pages of publication | 788 - 796 |
a | 8.4688 ± 0.0009 Å |
b | 9.9367 ± 0.001 Å |
c | 15.47 ± 0.0016 Å |
α | 96.122 ± 0.002° |
β | 91.044 ± 0.002° |
γ | 101.154 ± 0.002° |
Cell volume | 1268.9 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0861 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1312 |
Weighted residual factors for all reflections included in the refinement | 0.1495 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/7008019.html
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