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Information card for entry 2210136
Preview
Coordinates | 2210136.cif |
---|---|
Structure factors | 2210136.hkl |
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-Poly[benzyltriethylammonium [cadmium(II)-tri-μ-thiocyanato-κ^4^N:S;κ^2^S:N]] |
---|---|
Formula | C16 H22 Cd N4 S3 |
Calculated formula | C16 H22 Cd N4 S3 |
SMILES | [Cd]12(SC#[N][Cd](SC#[N]1)SC#[N]2)(N=S=C)(SC#N)SC#N.c1(ccccc1)C[N+](CC)(CC)CC.c1(ccccc1)C[N+](CC)(CC)CC |
Title of publication | <i>catena</i>-Poly[benzyltriethylammonium [tri-μ-thiocyanato-κ^4^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-cadmate(II)]] |
Authors of publication | Luca Russo; Raj Pal Sharma; Subhranshu Sharma; Rajni Sharma; Kari Rissanen |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 9 |
Pages of publication | m2011 - m2013 |
a | 12.164 ± 0.002 Å |
b | 10.927 ± 0.002 Å |
c | 15.952 ± 0.003 Å |
α | 90° |
β | 104.61 ± 0.03° |
γ | 90° |
Cell volume | 2051.7 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0414 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0469 |
Weighted residual factors for all reflections included in the refinement | 0.0519 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.25 |
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/2210136.html
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Users of the data should acknowledge the original authors of the
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