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Information card for entry 7008022
Preview
Coordinates | 7008022.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H56 Hg2 I4 N2 O4 S4 |
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Calculated formula | C48 H56 Hg2 I4 N2 O4 S4 |
SMILES | c12OCCOc3c(CSCC[N]4(CC[S](Cc2cccc1)[Hg]4(I)I)Cc1ccc(C[N]24CC[S](Cc5c(cccc5)OCCOc5c(CSCC4)cccc5)[Hg]2(I)I)cc1)cccc3 |
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 | 8.9754 ± 0.0015 Å |
b | 9.6153 ± 0.0016 Å |
c | 16.013 ± 0.003 Å |
α | 84.89 ± 0.003° |
β | 84.242 ± 0.003° |
γ | 71.036 ± 0.003° |
Cell volume | 1298 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0588 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0807 |
Weighted residual factors for all reflections included in the refinement | 0.1029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7008022.html
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