Information card for entry 7134141

Structure parameters

• Formula: C68 H80 Ce2 O2 P2 S2
• Calculated formula: C68 H80 Ce2 O2 P2 S2
• Title of publication: Cerium(III) yldiide complexes with divergent CO reactivity.
• Authors of publication: Gremillion, Alexander J.; Kumar, Hemant; Del Rosal, Iker; Kelley, Steven P.; Maron, Laurent; Gessner, Viktoria H.; Walensky, Justin R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 4
• Pages of publication: 752 - 755
• a: 12.0893 ± 0.0006 Å
• b: 12.174 ± 0.0006 Å
• c: 12.3858 ± 0.0006 Å
• α: 115.189 ± 0.0016°
• β: 99.9137 ± 0.0017°
• γ: 101.752 ± 0.0017°
• Cell volume: 1544.5 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0834
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No