Information card for entry 7045485

Structure parameters

• Chemical name: 'iPrFOTMSAu(I)'
• Formula: C50 H64 Au2 Fe2 N2 O2 Si2
• Calculated formula: C50 H64 Au2 Fe2 N2 O2 Si2
• SMILES: [c]123[cH]4[cH]5[c]6([c]1([Fe]17893456[cH]3[cH]1[cH]7[cH]8[cH]93)C1=[N]([Au]3[Au]2[N]2=C([c]45[c]63[cH]3[cH]7[c]4([Fe]489%105637[cH]3[cH]4[cH]8[cH]9[cH]%103)[Si](C)(C)C)OC[C@@H]2C(C)C)[C@H](CO1)C(C)C)[Si](C)(C)C.c1ccccc1.c1ccccc1
• 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: 35.198 ± 0.002 Å
• b: 10.8799 ± 0.0007 Å
• c: 6.5582 ± 0.0004 Å
• α: 90°
• β: 100.146 ± 0.003°
• γ: 90°
• Cell volume: 2472.2 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No