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Information card for entry 2229309
Preview
| Coordinates | 2229309.cif |
|---|---|
| Structure factors | 2229309.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[2-(pyridin-2-yldisulfanyl)pyridine- κ^2^<i>N</i>,<i>S</i>]copper(I)]-μ~1,5~-dicyanamido] |
|---|---|
| Formula | C12 H8 Cu N5 S2 |
| Calculated formula | C12 H8 Cu N5 S2 |
| SMILES | [Cu]1([S](Sc2[n]1cccc2)c1ncccc1)(N=C=NC#N)[N]#CN=C=N[Cu]1[S](Sc2[n]1cccc2)c1ncccc1 |
| Title of publication | <i>catena</i>-Poly[[[2-(pyridin-2-yldisulfanyl)pyridine-κ^2^<i>N</i>,<i>S</i>]copper(I)]-μ~1,5~-dicyanamido] |
| Authors of publication | Wu, Shixi; Jiang, Wei; Li, Fengsheng; Liu, Li |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m285 |
| a | 7.6294 ± 0.0015 Å |
| b | 9.5964 ± 0.0019 Å |
| c | 10.202 ± 0.002 Å |
| α | 84.19 ± 0.03° |
| β | 80.63 ± 0.03° |
| γ | 70.93 ± 0.03° |
| Cell volume | 695.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0334 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181214 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/93. |
2229309.cif 2229309.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229309.cif 2229309.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229309.cif 2229309.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2229309.cif 2229309.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229309.cif 2229309.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229309.cif 2229309.hkl |
| 12402 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229309 via cif-deposit CGI script. |
2229309.cif |
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Users of the data should acknowledge the original authors of the
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