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Information card for entry 7045489
Preview
| Coordinates | 7045489.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | '(Rp)-iPrFOAu(II)Cl' |
|---|---|
| Formula | C32 H36 Au2 Cl2 Fe2 N2 O2 |
| Calculated formula | C32 H36 Au2 Cl2 Fe2 N2 O2 |
| SMILES | [Au]1([c]23[Fe]456789%10([c]3([cH]5[cH]6[cH]24)C2=[N]([Au]([c]34[Fe]56%11%12%13%14%15([c]3([cH]5[cH]6[cH]4%11)C3=[N]1[C@H](CO3)C(C)C)[cH]1[cH]%15[cH]%14[cH]%13[cH]%121)Cl)[C@H](CO2)C(C)C)[cH]1[cH]8[cH]9[cH]%10[cH]71)Cl |
| 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 | 9.0827 ± 0.0009 Å |
| b | 16.1005 ± 0.0013 Å |
| c | 20.765 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3036.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.0638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.883 |
| 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. |
7045489.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. |
7045489.cif |
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Users of the data should acknowledge the original authors of the
structural data.