Information card for entry 7045492

Structure parameters

• Chemical name: 'iPrFOMeAu(II)Br'
• Formula: C35 H41 Au2 Br2 Cl3 Fe2 N2 O2
• Calculated formula: C35 H41 Au2 Br2 Cl3 Fe2 N2 O2
• SMILES: [Au]1([c]23[Fe]456789%10([c]3([c]5([cH]6[cH]24)C)C2OC[C@@H]([N]=2[Au]([c]23[Fe]456%11%12%13%14([c]2([c]4([cH]5[cH]36)C)C2OC[C@@H]([N]1=2)C(C)C)[cH]1[cH]%14[cH]%13[cH]%12[cH]%111)Br)C(C)C)[cH]1[cH]7[cH]%10[cH]9[cH]81)Br.C(Cl)(Cl)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: 19.4272 ± 0.0012 Å
• b: 21.3813 ± 0.001 Å
• c: 9.1942 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3819.1 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 8
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No