Information card for entry 7045496

Structure parameters

• Chemical name: 'tBuFOMeAu(I)'
• Formula: C36 H44 Au2 Fe2 N2 O2
• Calculated formula: C36 H44 Au2 Fe2 N2 O2
• SMILES: [c]123[c]4([c]5([cH]6[cH]1[Fe]17893456[cH]3[cH]1[cH]7[cH]8[cH]93)C)C1=[N]([C@H](CO1)C(C)(C)C)[Au]1[Au]2[N]2=C([c]34[c]51[cH]1[cH]6[c]3(C)[Fe]37894516[cH]1[cH]3[cH]7[cH]8[cH]91)OC[C@@H]2C(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: 10.9149 ± 0.0007 Å
• b: 10.9149 ± 0.0007 Å
• c: 24.7765 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2556.3 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.0359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No