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Information card for entry 7706309
Preview
| Coordinates | 7706309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H24 Au Cl0 F33 Fe3 N3 O3 P3 S |
|---|---|
| Calculated formula | C70 H24 Au F33 Fe3 N3 O3 P3 S |
| SMILES | [Au]1[P](c2c(F)c(F)c(F)c(F)c2F)([c]23[cH]4[Fe]56789%102([cH]([cH]45)[cH]37)[cH]2[cH]8[c]6([cH]9[cH]%102)c2nc(nc(n2)[c]23[Fe]456789%10([cH]%11[cH]%10[cH]5[cH]8[c]7%11[P]1(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[cH]2[cH]6[cH]4[cH]39)[c]12[Fe]3456789([cH]([cH]25)[cH]4[cH]13)[cH]1[cH]7[cH]6[cH]8[c]91P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.S(=O)(=O)([O-])C(F)(F)F |
| 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 | 12.6634 ± 0.0009 Å |
| b | 15.103 ± 0.0009 Å |
| c | 19.1877 ± 0.0012 Å |
| α | 93.198 ± 0.005° |
| β | 97.777 ± 0.006° |
| γ | 103.745 ± 0.006° |
| Cell volume | 3517.1 ± 0.4 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 10 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2352 |
| Residual factor for significantly intense reflections | 0.0987 |
| Weighted residual factors for significantly intense reflections | 0.1491 |
| Weighted residual factors for all reflections included in the refinement | 0.1973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| 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. |
7706309.cif |
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Users of the data should acknowledge the original authors of the
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