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Information card for entry 2011984
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| Coordinates | 2011984.cif |
|---|---|
| Structure factors | 2011984.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3,3'-[2,2'-(ethylenedioxy)dibenzylidene]bis(S-methyl dithiocarbazate) nickel(II) |
|---|---|
| Formula | C20 H20 N4 Ni O2 S4 |
| Calculated formula | C20 H20 N4 Ni O2 S4 |
| SMILES | [Ni]123SC(SC)=N[N]2=Cc2ccccc2OCCOc2ccccc2C=[N]3N=C(S1)SC |
| Title of publication | {3,3'-[2,2'-(Ethylenedioxy)dibenzylidene]bis(<i>S</i>-methyl dithiocarbazate)}nickel(II) |
| Authors of publication | Wu, Jie-Ying; Chantrapromma, Suchada; Chen, Dong-Wen; Tian, Yu-Peng; Yang, Ping; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | 523 - 525 |
| a | 11.1188 ± 0.0001 Å |
| b | 7.6413 ± 0.0001 Å |
| c | 27.4773 ± 0.0001 Å |
| α | 90° |
| β | 99.065 ± 0.001° |
| γ | 90° |
| Cell volume | 2305.37 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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