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Information card for entry 7045498
Preview
Coordinates | 7045498.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (Rp)-iPrFOAu(I)' |
---|---|
Formula | C32 H36 Au2 Fe2 N2 O2 |
Calculated formula | C32 H36 Au2 Fe2 N2 O2 |
SMILES | [Au]([N]1=C(OC[C@@H]1C(C)C)[c]12[c]3([Au]4)[Fe]56789%101([cH]2[cH]5[cH]36)[cH]1[cH]%10[cH]9[cH]8[cH]71)[c]12[c]3([Fe]56789%101([cH]3[cH]5[cH]26)[cH]1[cH]7[cH]8[cH]9[cH]%101)C1=[N]4[C@H](CO1)C(C)C |
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 | 6.7822 ± 0.0006 Å |
b | 12.1326 ± 0.0009 Å |
c | 37.407 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3078.1 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0501 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0594 |
Weighted residual factors for all reflections included in the refinement | 0.0628 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7045498.html
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Users of the data should acknowledge the original authors of the
structural data.