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Information card for entry 2020420
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| Coordinates | 2020420.cif |
|---|---|
| Structure factors | 2020420.hkl |
| Original IUCr paper | HTML |
| Common name | 2 |
|---|---|
| Chemical name | (<i>SP</i>-4-4)-(<i>R</i>)-[2-(1-Aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>][(<i>R</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>](isocyanato-κ<i>N</i>)platinum(II) |
| Formula | C17 H19 F2 N3 O Pt |
| Calculated formula | C17 H19 F2 N3 O Pt |
| SMILES | [Pt]1([NH2][C@@H](c2c1cc(F)cc2)C)([NH2][C@@H](c1ccc(F)cc1)C)N=C=O |
| Title of publication | Hydrogen <i>versus</i> fluorine: effects on molecular structure and intermolecular interactions in a platinum isocyanate complex |
| Authors of publication | Raven, William; Joschko, Thomas; Kalf, Irmgard; Englert, Ulli |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 184 - 188 |
| a | 4.5317 ± 0.0004 Å |
| b | 12.6474 ± 0.0011 Å |
| c | 28.675 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1643.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0345 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.063 |
| Weighted residual factors for all reflections included in the refinement | 0.0645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181874 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04 |
2020420.cif 2020420.hkl |
| 181474 | 2016-04-04 | cif/ Updating files of 2020420 Original log message: Adding full bibliography for 2020420.cif. |
2020420.cif 2020420.hkl |
| 176409 | 2016-02-13 | cif/ hkl/ Adding structures of 2020420 via cif-deposit CGI script. |
2020420.cif 2020420.hkl |
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Users of the data should acknowledge the original authors of the
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