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Information card for entry 4084195
Preview
| Coordinates | 4084195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H56 Fe4 N2 Pt |
|---|---|
| Calculated formula | C54 H56 Fe4 N2 Pt |
| SMILES | C(#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[Pt]([NH]=C(CCCC)[c]12[cH]3[cH]4[Fe]5678923([cH]1[cH]46)[cH]1[cH]5[cH]9[cH]8[cH]71)(C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[NH]=C(CCCC)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82 |
| 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 | 9.8536 ± 0.0006 Å |
| b | 10.5344 ± 0.0005 Å |
| c | 11.093 ± 0.0006 Å |
| α | 91.905 ± 0.004° |
| β | 99.298 ± 0.005° |
| γ | 108.556 ± 0.005° |
| Cell volume | 1072.85 ± 0.11 Å3 |
| Cell temperature | 115 K |
| Ambient diffraction temperature | 115 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0682 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
4084195.cif |
| 123098 | 2014-09-06 | cif/ Updating files of 4084192, 4084193, 4084194, 4084195, 4084196 Original log message: Adding full bibliography for 4084192--4084196.cif. |
4084195.cif |
| 122153 | 2014-08-18 | cif/ Adding structures of 4084192, 4084193, 4084194, 4084195, 4084196 via cif-deposit CGI script. |
4084195.cif |
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Users of the data should acknowledge the original authors of the
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