Information card for entry 7046703

Structure parameters

• Formula: C50 H80 F24 O40 S8 Sm4
• Calculated formula: C50 H80 F24 O40 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: 12.5403 ± 0.0004 Å
• b: 12.7821 ± 0.0004 Å
• c: 15.8869 ± 0.0005 Å
• α: 72.254 ± 0.002°
• β: 84.907 ± 0.002°
• γ: 65.76 ± 0.001°
• Cell volume: 2209.59 ± 0.12 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: 0.0242
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No