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Information card for entry 2222218
Preview
Coordinates | 2222218.cif |
---|---|
Structure factors | 2222218.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[hemi[bis(4'-phenyl-2,2':6',2''-terpyridine- κ^3^<i>N</i>)copper(II)] [cuprate(I)-di-μ~2~-thiocyanato- κ^2^<i>N</i>:<i>S/i>;κ^2^<i>S</i>:<i>N</i>]] |
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Formula | C46 H30 Cu3 N10 S4 |
Calculated formula | C46 H30 Cu3 N10 S4 |
SMILES | [Cu]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccccc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccccc1)c1[n]4cccc1.[Cu]1(SC#N)(N=C=S)[N]#CS[Cu]([N]#CS1) |
Title of publication | <i>catena</i>-Poly[hemi[bis(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>)copper(II)] [cuprate(I)-di-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]] |
Authors of publication | Shi, Wen-Juan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 7 |
Pages of publication | m801 |
a | 10.1803 ± 0.0006 Å |
b | 10.1829 ± 0.0006 Å |
c | 21.3203 ± 0.0012 Å |
α | 83.571 ± 0.001° |
β | 89.566 ± 0.001° |
γ | 81.676 ± 0.001° |
Cell volume | 2173 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.081 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1259 |
Weighted residual factors for all reflections included in the refinement | 0.1412 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/2222218.html
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Users of the data should acknowledge the original authors of the
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