Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7045492
Preview
| Coordinates | 7045492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 'iPrFOMeAu(II)Br' |
|---|---|
| Formula | C35 H41 Au2 Br2 Cl3 Fe2 N2 O2 |
| Calculated formula | C35 H41 Au2 Br2 Cl3 Fe2 N2 O2 |
| SMILES | [Au]1([c]23[Fe]456789%10([c]3([c]5([cH]6[cH]24)C)C2OC[C@@H]([N]=2[Au]([c]23[Fe]456%11%12%13%14([c]2([c]4([cH]5[cH]36)C)C2OC[C@@H]([N]1=2)C(C)C)[cH]1[cH]%14[cH]%13[cH]%12[cH]%111)Br)C(C)C)[cH]1[cH]7[cH]%10[cH]9[cH]81)Br.C(Cl)(Cl)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 | 19.4272 ± 0.0012 Å |
| b | 21.3813 ± 0.001 Å |
| c | 9.1942 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3819.1 ± 0.4 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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. |
7045492.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. |
7045492.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.