Information card for entry 7045490

Structure parameters

• Chemical name: 'compound 7'
• Formula: C66.5 H77 Au4 Cl5 Fe4 N4 O4
• Calculated formula: C66.5 H77 Au4 Cl5 Fe4 N4 O4
• 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: 19.7785 ± 0.001 Å
• b: 19.7785 ± 0.001 Å
• c: 35.613 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13931.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No