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Information card for entry 4084192
Preview
| Coordinates | 4084192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 Cl2 Fe2 N2 Pt |
|---|---|
| Calculated formula | C22 H18 Cl2 Fe2 N2 Pt |
| SMILES | C([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)#[N][Pt]([N]#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)(Cl)Cl |
| Title of publication | From Ferrocenecarbonitriles to Ferrocenylimines: Synthesis, Structure, and Reaction Chemistry |
| Authors of publication | Strehler, Frank; Hildebrandt, Alexander; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 16 |
| Pages of publication | 4279 |
| a | 9.4599 ± 0.0002 Å |
| b | 11.8122 ± 0.0006 Å |
| c | 37.4511 ± 0.0011 Å |
| α | 89.585 ± 0.003° |
| β | 89.441 ± 0.002° |
| γ | 87.676 ± 0.003° |
| Cell volume | 4181.1 ± 0.3 Å3 |
| Cell temperature | 106.4 ± 0.5 K |
| Ambient diffraction temperature | 106.4 ± 0.5 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 | 0.1093 |
| Residual factor for significantly intense reflections | 0.0945 |
| Weighted residual factors for significantly intense reflections | 0.2703 |
| Weighted residual factors for all reflections included in the refinement | 0.2795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178730 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/41. |
4084192.cif |
| 123098 | 2014-09-06 | cif/ Updating files of 4084192, 4084193, 4084194, 4084195, 4084196 Original log message: Adding full bibliography for 4084192--4084196.cif. |
4084192.cif |
| 122153 | 2014-08-18 | cif/ Adding structures of 4084192, 4084193, 4084194, 4084195, 4084196 via cif-deposit CGI script. |
4084192.cif |
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Users of the data should acknowledge the original authors of the
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