Information card for entry 1547387

Structure parameters

• Formula: C32 H38 Fe O S
• Calculated formula: C32 H38 Fe O S
• SMILES: [cH]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[c]1(S(=O)c2ccc(cc2)C)[c]6([cH]7[cH]8[cH]91)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• 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: 9.6442 ± 0.0011 Å
• b: 15.8547 ± 0.0015 Å
• c: 17.74 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2712.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No