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Information card for entry 7052728
Preview
| Coordinates | 7052728.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 Fe2 Se2 |
|---|---|
| Calculated formula | C22 H22 Fe2 Se2 |
| SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C[Se][Se]C[c]12[cH]3[Fe]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | A ferrocenylmethylselenolate complex of Ag(i): preparation of the polyferrocenyl cluster [Ag8(SeCH2Fc)8(PPh3)4] from the new silylated reagent FcCH2SeSiMe3 |
| Authors of publication | Ahmar, Siawash; Nitschke, Christian; Vijayaratnam, Niranjan; MacDonald, Daniel G.; Fenske, Dieter; Corrigan, John F. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 10 |
| Pages of publication | 2013 |
| a | 15.352 ± 0.001 Å |
| b | 5.7588 ± 0.0003 Å |
| c | 22.802 ± 0.002 Å |
| α | 90° |
| β | 97.678 ± 0.003° |
| γ | 90° |
| Cell volume | 1997.8 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.1215 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180081 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27. |
7052728.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052728.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052728.cif |
| 28140 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7052728, 7052729, 7052730 via cif-deposit CGI script. |
7052728.cif |
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