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Information card for entry 2240496
Preview
| Coordinates | 2240496.cif |
|---|---|
| Structure factors | 2240496.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | [2,6-Difluoro-3-(pyridin-2-yl-κ<i>N</i>)pyridin-4-yl-κ<i>C</i>^4^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')platinum(II) |
|---|---|
| Formula | C15 H12 F2 N2 O2 Pt |
| Calculated formula | C15 H12 F2 N2 O2 Pt |
| SMILES | [Pt]12(c3cc(F)nc(F)c3c3[n]2cccc3)OC(=CC(=[O]1)C)C |
| Title of publication | Crystal structure of [2,6-difluoro-3-(pyridin-2-yl-κ<i>N</i>)pyridin-4-yl-κ<i>C</i>^4^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')platinum(II) |
| Authors of publication | Park, Ki-Min; Lee, Jieun; Kang, Youngjin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | 354 - 356 |
| a | 8.0442 ± 0.0006 Å |
| b | 9.8711 ± 0.0007 Å |
| c | 10.1458 ± 0.0007 Å |
| α | 97.683 ± 0.001° |
| β | 112.32 ± 0.001° |
| γ | 99.41 ± 0.001° |
| Cell volume | 718.12 ± 0.09 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0178 |
| Residual factor for significantly intense reflections | 0.0174 |
| Weighted residual factors for significantly intense reflections | 0.0524 |
| Weighted residual factors for all reflections included in the refinement | 0.0526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240496.cif 2240496.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240496.cif 2240496.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240496.cif 2240496.hkl |
| 134017 | 2015-03-18 | cif/ hkl/ Adding structures of 2240496 via cif-deposit CGI script. |
2240496.cif 2240496.hkl |
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Users of the data should acknowledge the original authors of the
structural data.