Information card for entry 7045484

Structure parameters

• Chemical name: 'compound 8''
• 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]27)C2OC[C@@H]([N]=2[Au]([c]23[Fe]567%11%12%13%14([c]2([cH]%11[cH]5[cH]36)C2OC[C@@H]([N]1=2)C(C)C)[cH]1[cH]7[cH]%12[cH]%13[cH]%141)Cl)C(C)C)[cH]1[cH]8[cH]9[cH]%10[cH]41)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: 10.0819 ± 0.0005 Å
• b: 15.295 ± 0.0006 Å
• c: 20.4679 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3156.2 ± 0.3 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: 0.0623
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No