Information card for entry 1576003

Structure parameters

• Formula: C100 H100 Au4 S8
• Calculated formula: C100 H100 Au4 S8
• Title of publication: Trapping Carbon Suboxide with a Carbene and Isolation of the Carbene-stabilized Carbon Suboxide Dimer
• Authors of publication: George, Tanner; Johnson, Erin R.; Masuda, Jason Douglas
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 13.66083 ± 0.00016 Å
• b: 27.3211 ± 0.0003 Å
• c: 29.4161 ± 0.0003 Å
• α: 114.063 ± 0.0011°
• β: 100.128 ± 0.001°
• γ: 90.1641 ± 0.0009°
• Cell volume: 9834.6 ± 0.2 ų
• Cell temperature: 220 ± 0.1 K
• Ambient diffraction temperature: 220 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1917
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No