Information card for entry 7133931

Structure parameters

• Formula: C96 H166 Ir2 S4 U2
• Calculated formula: C96 H166 Ir2 S4 U2
• Title of publication: Reduction of CS2 to an ethanetetrathiolate by a hydride-bridged uranium–iridium heterobimetallic complex
• Authors of publication: Ye, Christopher Z.; Del Rosal, Iker; Ouellette, Erik T.; Hohloch, Stephan; Maron, Laurent; Camp, Clément; Arnold, John
• Journal of publication: Chemical Communications
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 85
• Pages of publication: 12377 - 12380
• a: 29.472 ± 0.003 Å
• b: 18.083 ± 0.002 Å
• c: 17.948 ± 0.002 Å
• α: 90°
• β: 99.352 ± 0.004°
• γ: 90°
• Cell volume: 9438.1 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0389
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No