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Information card for entry 2021196
Preview
| Coordinates | 2021196.cif |
|---|---|
| Structure factors | 2021196.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>fac</i>-Tricarbonylchlorido[1-(4-nitrocinnamoyl)-3-(pyridin-2-yl-κ<i>N</i>)pyrazole-κ<i>N</i>^2^]rhenium(I) acetone monosolvate |
|---|---|
| Formula | C23 H18 Cl N4 O7 Re |
| Calculated formula | C23 H18 Cl N4 O7 Re |
| Title of publication | Supramolecular structures of rhenium(I) complexes mediated by ligand planarity <i>via</i> the interplay of substituents |
| Authors of publication | Mark-Lee, Wun Fui; Chong, Yan Yi; Kassim, Mohammad B. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 9 |
| a | 7.9828 ± 0.0003 Å |
| b | 12.0719 ± 0.0004 Å |
| c | 14.456 ± 0.0005 Å |
| α | 104.093 ± 0.002° |
| β | 99.708 ± 0.002° |
| γ | 104.184 ± 0.002° |
| Cell volume | 1270.78 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1024 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1277 |
| Weighted residual factors for all reflections included in the refinement | 0.1541 |
| 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 |
|---|---|---|---|
| 209414 (current) | 2018-08-07 | cif/ hkl/ Adding structures of 2021195, 2021196 via cif-deposit CGI script. |
2021196.cif 2021196.hkl |
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Users of the data should acknowledge the original authors of the
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