Information card for entry 4084532

Structure parameters

• Common name: Au-phosphine complex
• Formula: C17 H17 Au Cl2 I N2 P
• Calculated formula: C17 H17 Au Cl2 I N2 P
• SMILES: [Au](Cl)[P](c1c(I)[n+](cn1C)C)(c1ccccc1)c1ccccc1.[Cl-]
• Title of publication: Synthesis of Imidazole-Based Functionalized Mesoionic Carbene Complexes of Palladium: Comparison of Donor Properties and Catalytic Activity toward Suzuki‒Miyaura Coupling
• Authors of publication: Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6218
• a: 10.369 ± 0.005 Å
• b: 12.624 ± 0.005 Å
• c: 16.459 ± 0.005 Å
• α: 74.625 ± 0.005°
• β: 80.041 ± 0.005°
• γ: 82.634 ± 0.005°
• Cell volume: 2038.3 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No