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Information card for entry 2238370
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| Coordinates | 2238370.cif |
|---|---|
| Structure factors | 2238370.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(1-ethyl-4,4'-bipyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II) |
|---|---|
| Formula | C32 H26 N8 Ni S4 |
| Calculated formula | C32 H26 N8 Ni S4 |
| SMILES | [Ni]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.c1cc(cc[n+]1CC)c1ccncc1.c1cc(cc[n+]1CC)c1ccncc1 |
| Title of publication | Bis(1-ethyl-4,4'-bipyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II) |
| Authors of publication | Chen, Yao; Ning, Wei-hua; Liu, Jian-Lan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | m428 |
| a | 7.4505 ± 0.0013 Å |
| b | 12.793 ± 0.002 Å |
| c | 17.745 ± 0.003 Å |
| α | 78.664 ± 0.002° |
| β | 86.558 ± 0.002° |
| γ | 80.344 ± 0.002° |
| Cell volume | 1634.2 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1348 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/83. |
2238370.cif 2238370.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238370.cif 2238370.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238370.cif 2238370.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238370.cif 2238370.hkl |
| 88213 | 2013-09-04 | cif/ Adding structures of 2238370 via cif-deposit CGI script. |
2238370.cif |
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