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Information card for entry 7045487
Preview
| Coordinates | 7045487.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 'Me2FOMeAu(I)' |
|---|---|
| Formula | C32 H36 Au2 Fe2 N2 O2 |
| Calculated formula | C32 H36 Au2 Fe2 N2 O2 |
| SMILES | [Au]([N]1=C(OCC1(C)C)[c]12[Fe]3456789([c]2([Au]2)[cH]7[cH]6[c]15C)[cH]1[cH]8[cH]9[cH]3[cH]41)[c]13[cH]4[Fe]56789%101([c]3([c]5([cH]46)C)C1=[N]2C(CO1)(C)C)[cH]1[cH]7[cH]8[cH]9[cH]%101 |
| Title of publication | Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes. |
| Authors of publication | Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 11 |
| Pages of publication | 3880 - 3905 |
| a | 12.9929 ± 0.0013 Å |
| b | 17.6784 ± 0.0017 Å |
| c | 13.3992 ± 0.0013 Å |
| α | 90° |
| β | 106.431 ± 0.004° |
| γ | 90° |
| Cell volume | 2952 ± 0.5 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0358 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0452 |
| Weighted residual factors for all reflections included in the refinement | 0.047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229993 (current) | 2019-11-17 | cif/ Updating files of 7045484, 7045485, 7045486, 7045487, 7045488, 7045489, 7045490, 7045491, 7045492, 7045493, 7045494, 7045495, 7045496, 7045497, 7045498 Original log message: Adding full bibliography for 7045484--7045498.cif. |
7045487.cif |
| 206002 | 2018-02-01 | cif/ Adding structures of 7045484, 7045485, 7045486, 7045487, 7045488, 7045489, 7045490, 7045491, 7045492, 7045493, 7045494, 7045495, 7045496, 7045497, 7045498 via cif-deposit CGI script. |
7045487.cif |
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Users of the data should acknowledge the original authors of the
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