Information card for entry 7123989

Structure parameters

• Formula: C49 H61 Au Cl0.5 F6 N5 O2 P
• Calculated formula: C49.29 H60.54 Au Cl0.5 F6 N5 O2 P
• Title of publication: Expanding the biological utility of bis-NHC gold(I) complexes through post synthetic carbamate conjugation
• Authors of publication: Sen, Sajal; Li, Yue; Lynch, Vincent; Arumugam, Kuppuswamy; Sessler, Jonathan L.; Arambula, Jonathan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.1145 ± 0.0006 Å
• b: 18.0534 ± 0.0009 Å
• c: 25.6124 ± 0.0014 Å
• α: 83.682 ± 0.004°
• β: 84.131 ± 0.005°
• γ: 78.693 ± 0.005°
• Cell volume: 4991.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No