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Information card for entry 7227898
Preview
| Coordinates | 7227898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Dichloro-bis(4-cyanopyridine)Nickel |
|---|---|
| Chemical name | Dichloro-bis(4-cyanopyridine)Nickel |
| Formula | C12 H8 Cl2 N4 Ni |
| Calculated formula | C12 H8 Cl2 N4 Ni |
| SMILES | c1cc(C#N)cc[n]1[Ni]1([n]2ccc(cc2)C#N)([Cl][Ni]([n]2ccc(cc2)C#N)([n]2ccc(cc2)C#N)[Cl]1)(Cl)Cl |
| Title of publication | 4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction |
| Authors of publication | Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 16 |
| Pages of publication | 2216 |
| a | 26.4504 ± 0.0007 Å |
| b | 7.16668 ± 0.00019 Å |
| c | 3.58904 ± 0.00007 Å |
| α | 90° |
| β | 92.474 ± 0.004° |
| γ | 90° |
| Cell volume | 679.71 ± 0.03 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 R(I) for significantly intense reflections | 0.0085 |
| Goodness-of-fit parameter for all reflections | 1.366 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204140 (current) | 2017-12-10 | cif/7/22/ Updating space group information in entries 7227893, 7227894, 7227895, 7227896, 7227897, 7227898, 7227899, 7228124, 7228131, 7228269, 7229412. |
7227898.cif |
| 196379 | 2017-05-06 | cif/ Updating files of 7227893, 7227894, 7227895, 7227896, 7227897, 7227898, 7227899 Original log message: Adding full bibliography for 7227893--7227899.cif. |
7227898.cif |
| 194391 | 2017-03-22 | cif/ Adding structures of 7227893, 7227894, 7227895, 7227896, 7227897, 7227898, 7227899 via cif-deposit CGI script. |
7227898.cif |
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