Information card for entry 4519389

Structure parameters

• Formula: C40 H55 Au Cl P
• Calculated formula: C40 H55 Au Cl P
• SMILES: [Au](Cl)[P](c1c(cccc1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C.c1ccccc1
• Title of publication: Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts
• Authors of publication: Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús
• Journal of publication: ACS Catalysis
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 4227 - 4241
• a: 54.233 ± 0.008 Å
• b: 14.371 ± 0.002 Å
• c: 32.268 ± 0.005 Å
• α: 90°
• β: 102.216 ± 0.009°
• γ: 90°
• Cell volume: 24580 ± 6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No