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Information card for entry 2311386
Preview
| Coordinates | 2311386.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | {(<i>R</i>)-<i>N</i>^2^-[(Benzo[<i>h</i>]quinolin-2-yl)methyl]-<i>N</i>^2'^-[(benzo[<i>h</i>]quinolin-2-yl)methylidene]-1,1'-binaphthyl-2,2'-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(trifluoromethanesulfonato-κ<i>O</i>)zinc(II)} trifluoromethanesulfonate dichloromethane 1.5-solvate |
|---|---|
| Formula | C51.5 H35 Cl3 F6 N4 O6 S2 Zn |
| Calculated formula | C51.5 H35 Cl3 F6 N4 O6 S2 Zn |
| Title of publication | Crystal structure of {(<i>R</i>)-<i>N</i><sup>2</sup>-[(benzo[<i>h</i>]quinolin-2-yl)meth-yl]-<i>N</i><sup>2'</sup>-[(benzo[<i>h</i>]quinolin-2-yl)methyl-idene]-1,1'-binaphthyl-2,2'-di-amine-κ<sup>4</sup><i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(trifluoromethane-sulfonato-κ<i>O</i>)zinc(II)} trifluoromethane-sulfonate di-chloro-methane 1.5-solvate. |
| Authors of publication | Skokan, Shayna R.; Reeson, Monica M.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 7 |
| Pages of publication | 949 - 953 |
| a | 11.837 ± 0.004 Å |
| b | 23.126 ± 0.007 Å |
| c | 17.836 ± 0.005 Å |
| α | 90° |
| β | 94.165 ± 0.01° |
| γ | 90° |
| Cell volume | 4870 ± 3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120.03 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245842 (current) | 2019-12-25 | cif/ Adding structures of 2311386 via cif-deposit CGI script. |
2311386.cif |
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