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Information card for entry 7001371
Preview
| Coordinates | 7001371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H23 Br Fe |
|---|---|
| Calculated formula | C26 H23 Br Fe |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82/C(=C(/c1ccc(Br)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 | 9.4545 ± 0.0013 Å |
| b | 11.0859 ± 0.0015 Å |
| c | 20.771 ± 0.003 Å |
| α | 90° |
| β | 98.579 ± 0.003° |
| γ | 90° |
| Cell volume | 2152.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179710 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/13. |
7001371.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001371.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001371.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001371.cif |
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