Information card for entry 7045488

Structure parameters

• Chemical name: 'Me2FOAu(I)'
• Formula: C30 H32 Au2 Fe2 N2 O2
• Calculated formula: C30 H32 Au2 Fe2 N2 O2
• SMILES: [Au]([N]1=C(OCC1(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[cH]3[Fe]56789%101([c]2([cH]5[cH]36)C1OCC([N]4=1)(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: 12.2325 ± 0.0008 Å
• b: 16.4711 ± 0.001 Å
• c: 13.754 ± 0.0009 Å
• α: 90°
• β: 102.392 ± 0.004°
• γ: 90°
• Cell volume: 2706.6 ± 0.3 ų
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No