Information card for entry 7046704

Structure parameters

• Formula: C64 H112 F24 O38 S8 Sm4
• Calculated formula: C64 H112 F24 O38 S8 Sm4
• Title of publication: Small molecule activation with divalent samarium triflate: a synergistic effort to cleave O₂.
• Authors of publication: Xémard, Mathieu; Cordier, Marie; Louyriac, Elisa; Maron, Laurent; Clavaguéra, Carine; Nocton, Grégory
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 28
• Pages of publication: 9226 - 9230
• a: 13.0196 ± 0.0008 Å
• b: 14.5677 ± 0.0008 Å
• c: 15.4211 ± 0.0009 Å
• α: 95.673 ± 0.002°
• β: 114.423 ± 0.002°
• γ: 101.168 ± 0.002°
• Cell volume: 2559.7 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No