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Information card for entry 7001369
Preview
| Coordinates | 7001369.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 Fe N |
|---|---|
| Calculated formula | C27 H23 Fe N |
| SMILES | [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[c]81C(=C(\c1ccc(C#N)cc1)c1ccccc1)/CC |
| Title of publication | Role of aromatic substituents on the antiproliferative effects of diphenyl ferrocenyl butene compounds |
| Authors of publication | Zekri, Ouardia; Hillard, Elizabeth A.; Top, Siden; Vessières, Anne; Pigeon, Pascal; Plamont, Marie-Aude; Huché, Michel; Boutamine, Sultana; McGlinchey, Michael J.; Müller-Bunz, Helge; Jaouen, Gérard |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 22 |
| Pages of publication | 4318 - 4326 |
| a | 9.3209 ± 0.0014 Å |
| b | 11.1348 ± 0.0016 Å |
| c | 11.6176 ± 0.0017 Å |
| α | 100.243 ± 0.003° |
| β | 109.304 ± 0.002° |
| γ | 107.291 ± 0.002° |
| Cell volume | 1034.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7001369.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001369.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001369.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001369.cif |
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