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Information card for entry 2010518
Preview
| Coordinates | 2010518.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | trans-bis(1,2-Diaminobenzene-N)bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato-O,O')cobalt(II) |
|---|---|
| Formula | C22 H18 Co F12 N4 O4 |
| Calculated formula | C22 H18 Co F12 N4 O4 |
| SMILES | C(C1=CC(=[O][Co]2(O1)([NH2]c1c(cccc1)N)([NH2]c1c(cccc1)N)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)(F)F |
| Title of publication | Bis(1,2-diaminobenzene-<i>N</i>)bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-<i>O</i>,<i>O</i>')iron(II), -cobalt(II) and -nickel(II) at low temperature |
| Authors of publication | Dickman, Michael H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 58 - 60 |
| a | 7.769 Å |
| b | 10.9013 ± 0.0001 Å |
| c | 15.4431 ± 0.0001 Å |
| α | 90° |
| β | 99.288 ± 0.001° |
| γ | 90° |
| Cell volume | 1290.76 ± 0.015 Å3 |
| Cell temperature | 158 ± 2 K |
| Ambient diffraction temperature | 158 ± 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 | 0.063 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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