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Information card for entry 4081492
Preview
| Coordinates | 4081492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H28 Fe N2 |
|---|---|
| Calculated formula | C20 H28 Fe N2 |
| SMILES | [Fe]12345678([c]9([cH]1[cH]3[cH]5[cH]79)CN1CCCC1)[c]1([cH]2[cH]4[cH]6[cH]81)CN1CCCC1 |
| Title of publication | Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis |
| Authors of publication | Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 20 |
| Pages of publication | 5784 |
| a | 17.9016 ± 0.0008 Å |
| b | 7.908 ± 0.0003 Å |
| c | 12.1015 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1713.16 ± 0.13 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0699 |
| Weighted residual factors for all reflections included in the refinement | 0.0759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178703 (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 4/08/14. |
4081492.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4081492.cif |
| 89740 | 2013-11-10 | cif/ Adding structures of 4081492, 4081493, 4081494, 4081495, 4081496, 4081497, 4081498, 4081499 via cif-deposit CGI script. |
4081492.cif |
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Users of the data should acknowledge the original authors of the
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