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Information card for entry 2213747
Preview
| Coordinates | 2213747.cif |
|---|---|
| Structure factors | 2213747.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,2'-Bipyridine-κ^2^N,N')(nitrato-κ^2^O,O')bis(pyrrolidine-1- dithiocarboxylato-κ^2^<i>S</i>,<i>S</i>')bismuth(III) |
|---|---|
| Formula | C20 H24 Bi N5 O3 S4 |
| Calculated formula | C20 H24 Bi N5 O3 S4 |
| SMILES | [Bi]12([n]3ccccc3c3ncccc3)(ON(=O)=O)([S]=C(N3CCCC3)S1)SC(=[S]2)N1CCCC1 |
| Title of publication | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(pyrrolidine-1-dithiocarboxylato-κ^2^<i>S</i>,<i>S</i>')bismuth(III) |
| Authors of publication | Feng Li; Han-Dong Yin; Da-Qi Wang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 6 |
| Pages of publication | m1577 - m1577 |
| a | 9.565 ± 0.004 Å |
| b | 10.171 ± 0.004 Å |
| c | 14.555 ± 0.005 Å |
| α | 73.634 ± 0.004° |
| β | 76.032 ± 0.004° |
| γ | 70.916 ± 0.004° |
| Cell volume | 1266.4 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0805 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1524 |
| Weighted residual factors for all reflections included in the refinement | 0.1632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| 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/2213747.html
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Users of the data should acknowledge the original authors of the
structural data.