Information card for entry 7133930

Structure parameters

• Formula: C47 H85 Ir O0.5 Si U
• Calculated formula: C47 H85 Ir O0.5 Si U
• 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: 12.0803 ± 0.0012 Å
• b: 12.3459 ± 0.0012 Å
• c: 16.9963 ± 0.0017 Å
• α: 105.679 ± 0.004°
• β: 96.253 ± 0.004°
• γ: 96.29 ± 0.004°
• Cell volume: 2400.3 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No