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Information card for entry 4350224
Preview
Coordinates | 4350224.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H26 Cu4 I4 N10 S4 |
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Calculated formula | C30 H26 Cu4 I4 N10 S4 |
SMILES | c1c2[n]3[Cu]456([I]7[Cu]896([I]6[Cu]%10%11%12([I][Cu]796%12[n]6cccnc6[S]5Cc3cc1)[n]1c(C[S]%10c3[n]8cccn3)cccc1C[S]%11c1ncccn1)[I]4)[S](C2)c1ncccn1 |
Title of publication | Increasing structure dimensionality of copper(I) complexes by varying the flexible thioether ligand geometry and counteranions. |
Authors of publication | Peng, Rong; Li, Dan; Wu, Tao; Zhou, Xiao-Ping; Ng, Seik Weng |
Journal of publication | Inorganic chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 10 |
Pages of publication | 4035 - 4046 |
a | 13.2104 ± 0.001 Å |
b | 9.9479 ± 0.0008 Å |
c | 15.2018 ± 0.0011 Å |
α | 90° |
β | 95.757 ± 0.001° |
γ | 90° |
Cell volume | 1987.7 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0569 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.0935 |
Weighted residual factors for all reflections included in the refinement | 0.1002 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4350224.html
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