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Information card for entry 7706314
Preview
| Coordinates | 7706314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C153 H122 Au3 F6 Fe6 N0 O6 P6 S2 |
|---|---|
| Calculated formula | C151 H122 Au3 Fe6 P6 |
| SMILES | [cH]12[c]34c5cc(cc(c5)[c]56[cH]7[cH]8[cH]9[cH]5[Fe]5%10%11%126789[cH]6[c]%10([cH]5[cH]%12[cH]%116)[P](c5ccccc5)(c5ccccc5)[Au][P]([c]56[cH]7[cH]8[cH]9[cH]5[Fe]5%10246789[cH]([cH]15)[cH]3%10)(c1ccccc1)c1ccccc1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]6[cH]8[cH]1[cH]72)[P](c1ccccc1)(c1ccccc1)[Au][P](c1ccccc1)([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]7[cH]8[cH]6[cH]12)c1cc2cc([c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]4([cH]3[cH]8[cH]9[cH]%104)[P](c3ccccc3)(c3ccccc3)[Au][P](c3ccccc3)([c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[c]42[cH]3[cH]%10[cH]9[cH]84)c2ccccc2)c1)c1ccccc1.c1ccc(cc1)C |
| Title of publication | The core of the matter - arene substitution determines the coordination and catalytic behaviour of tris(1-phosphanyl-1'-ferrocenylene)arene gold(I) complexes. |
| Authors of publication | Straube, Axel; Coburger, Peter; Michak, Marvin; Ringenberg, Mark R.; Hey-Hawkins, Evamarie |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 46 |
| Pages of publication | 16667 - 16682 |
| a | 12.6182 ± 0.0002 Å |
| b | 23.5315 ± 0.0004 Å |
| c | 27.2516 ± 0.0007 Å |
| α | 69.34 ± 0.002° |
| β | 83.591 ± 0.002° |
| γ | 88.26 ± 0.001° |
| Cell volume | 7523.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1062 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260527 (current) | 2021-01-05 | cif/ Adding structures of 7706309, 7706310, 7706311, 7706312, 7706313, 7706314 via cif-deposit CGI script. |
7706314.cif |
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Users of the data should acknowledge the original authors of the
structural data.