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Information card for entry 2239538
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| Coordinates | 2239538.cif |
|---|---|
| Structure factors | 2239538.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)nickel(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] |
|---|---|
| Formula | C12 H10 N4 Ni S2 |
| Calculated formula | C12 H10 N4 Ni S2 |
| Title of publication | <i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)nickel(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>] |
| Authors of publication | Neumann, Tristan; Jess, Inke; Näther, Christian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m196 |
| a | 8.4913 ± 0.0005 Å |
| b | 8.6808 ± 0.0005 Å |
| c | 15.3608 ± 0.0009 Å |
| α | 92.675 ± 0.005° |
| β | 96.46 ± 0.004° |
| γ | 114.753 ± 0.004° |
| Cell volume | 1016.17 ± 0.11 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0498 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239538.cif 2239538.hkl |
| 181314 | 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 2/23/95. |
2239538.cif 2239538.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. |
2239538.cif 2239538.hkl |
| 113306 | 2014-05-10 | cif/ hkl/ Adding structures of 2239538 via cif-deposit CGI script. |
2239538.cif 2239538.hkl |
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Users of the data should acknowledge the original authors of the
structural data.