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Information card for entry 2240676
Preview
| Coordinates | 2240676.cif |
|---|---|
| Structure factors | 2240676.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (4-Fluorophenyl-κ<i>C</i>^1^)iodido(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) |
|---|---|
| Formula | C12 H20 F I N2 Pd |
| Calculated formula | C12 H20 F I N2 Pd |
| SMILES | [Pd]1(I)([N](CC[N]1(C)C)(C)C)c1ccc(cc1)F |
| Title of publication | Crystal structure of (4-fluorophenyl-κ<i>C</i>^1^)iodido(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')palladium(II) |
| Authors of publication | Yan, Jin-Jin; Zheng, Chang-Ge |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | m124 - m125 |
| a | 9.456 ± 0.002 Å |
| b | 12.802 ± 0.003 Å |
| c | 24.953 ± 0.005 Å |
| α | 90° |
| β | 93.152 ± 0.002° |
| γ | 90° |
| Cell volume | 3016.1 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.1179 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240676.cif 2240676.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240676.cif 2240676.hkl |
| 136458 | 2015-05-13 | cif/ hkl/ Adding structures of 2240676 via cif-deposit CGI script. |
2240676.cif 2240676.hkl |
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Users of the data should acknowledge the original authors of the
structural data.