Information card for entry 7045489

Structure parameters

• 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 ų
• 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