Information card for entry 7131203

Structure parameters

• Formula: C16 H36 Au I2 N
• Calculated formula: C16 H36 Au I2 N
• SMILES: [Au](I)[I-].[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Intimate relationship between C-I reductive elimination, aryl scrambling and isomerization processes in Au(III) complexes.
• Authors of publication: Fernández-Moyano, Sara; Marcos-Ayuso, Guillermo; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 14
• Pages of publication: 1975 - 1978
• a: 9.4636 ± 0.0006 Å
• b: 15.8178 ± 0.0009 Å
• c: 15.9489 ± 0.0011 Å
• α: 94.94 ± 0.005°
• β: 96.324 ± 0.006°
• γ: 105.988 ± 0.005°
• Cell volume: 2264.1 ± 0.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1528
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No