Information card for entry 1547383

Structure parameters

• Formula: C57 H61 Au Cl4 O3 P
• Calculated formula: C57 H61 Au Cl4 O3 P
• SMILES: [Au]([P]1(Oc2c(cc3ccccc3c2c2c3ccccc3cc(c2O1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Oc1ccccc1)Cl.ClC(Cl)Cl
• 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: 9.0107 ± 0.0006 Å
• b: 22.8169 ± 0.0016 Å
• c: 25.9541 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5336.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No