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Information card for entry 2011835
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| Coordinates | 2011835.cif |
|---|---|
| Structure factors | 2011835.hkl |
| Original IUCr paper | HTML |
| Formula | C21 H21 Cl3 N2 Ni O2 |
|---|---|
| Calculated formula | C21 H21 Cl3 N2 Ni O2 |
| SMILES | [Ni]123[N](=Cc4ccccc4O2)[C@H]2[C@H]([N]1=Cc1ccccc1O3)CCCC2.C(Cl)(Cl)Cl.[Ni]123[N](=Cc4ccccc4O2)[C@@H]2[C@@H]([N]1=Cc1ccccc1O3)CCCC2.C(Cl)(Cl)Cl |
| Title of publication | <i>trans</i>-[<i>N</i>,<i>N</i>'-Bis(salicylidene)cyclohexane-1,2-diaminato]nickel(II)–chloroform (1/1) |
| Authors of publication | de Castro, B.; Freire, C.; Duarte, M. Teresa; Minas da Piedade, M.F.; Santos, I.C. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 4 |
| Pages of publication | 370 - 372 |
| a | 13.249 ± 0.004 Å |
| b | 10.086 ± 0.009 Å |
| c | 16.695 ± 0.005 Å |
| α | 90° |
| β | 101.99 ± 0.02° |
| γ | 90° |
| Cell volume | 2182 ± 2 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for all reflections included in the refinement | 0.156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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