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Information card for entry 7052729
Preview
| Coordinates | 7052729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H62 Cl18 Fe2 N4 Se4 Zn2 |
|---|---|
| Calculated formula | C42 H62 Cl18 Fe2 N4 Se4 Zn2 |
| SMILES | [Se]1[Zn]2([Se]C[c]34[cH]5[Fe]6789%10%113([cH]4[cH]7[cH]56)[cH]3[c]%11([cH]%10[cH]9[cH]83)C[Se][Zn]3([Se]C[c]45[cH]6[Fe]789%10%11%124([cH]4[cH]7[cH]8[cH]9[c]%104C1)[cH]6[cH]%11[cH]5%12)[N](CC[N]3(C)C)(C)C)[N](CC[N]2(C)C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| 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 | 17.346 ± 0.004 Å |
| b | 42.44 ± 0.009 Å |
| c | 12.596 ± 0.003 Å |
| α | 90° |
| β | 133.24 ± 0.03° |
| γ | 90° |
| Cell volume | 6755 ± 4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1058 |
| Weighted residual factors for all reflections included in the refinement | 0.1312 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| 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. |
7052729.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052729.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052729.cif |
| 28140 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7052728, 7052729, 7052730 via cif-deposit CGI script. |
7052729.cif |
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