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Information card for entry 2241974
Preview
| Coordinates | 2241974.cif |
|---|---|
| Structure factors | 2241974.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II)] bis(7,7,8,8-tetracyanoquinonedimethane radical anion) bi[7,7,8,8-tetracyanoquinonedimethanide] hexahydrate |
|---|---|
| Formula | C108 H76 N28 Ni2 O6 |
| Calculated formula | C108 H76 N28 Ni2 O6 |
| Title of publication | Disorder of the dimeric TCNQ‒TCNQ unit in the crystal structure of [Ni(bpy)~3~]~2~(TCNQ‒TCNQ)(TCNQ)~2~·6H~2~O (TCNQ is 7,7,8,8-tetracyanoquinodimethane) |
| Authors of publication | Černák, Juraj; Kuchár, Juraj; Hegedüs, Michal |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 1 |
| Pages of publication | 8 - 12 |
| a | 12.4034 ± 0.0004 Å |
| b | 13.2921 ± 0.0004 Å |
| c | 15.4869 ± 0.0004 Å |
| α | 88.828 ± 0.003° |
| β | 86.336 ± 0.003° |
| γ | 73.586 ± 0.003° |
| Cell volume | 2444.21 ± 0.13 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 | 0.091 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188986 (current) | 2016-12-07 | cif/ hkl/ Adding structures of 2241974 via cif-deposit CGI script. |
2241974.cif 2241974.hkl |
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Users of the data should acknowledge the original authors of the
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