Information card for entry 1547385

Structure parameters

• Formula: C32 H25 Au Cl Fe P
• Calculated formula: C32 H25 Au Cl Fe P
• SMILES: c1cc2c(c([c]34[cH]5[cH]6[cH]7[c]3([Fe]389%104567[cH]4[cH]%10[cH]8[cH]3[cH]94)[P](c3ccccc3)(c3ccccc3)[Au]Cl)c1)cccc2
• Title of publication: Modular chiral gold(i) phosphite complexes
• Authors of publication: Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2013
• Journal volume: 3
• Pages of publication: 3007 - 3012
• a: 13.2861 ± 0.0014 Å
• b: 13.2861 ± 0.0014 Å
• c: 14.7974 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2612 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No