Information card for entry 7046705

Structure parameters

• Formula: C64 H58 F24 N10 O31 S8 Sm4
• Calculated formula: C60 H50 F24 N10 O30 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: 12.2749 ± 0.0005 Å
• b: 12.8852 ± 0.0006 Å
• c: 29.6815 ± 0.0012 Å
• α: 90°
• β: 93.453 ± 0.001°
• γ: 90°
• Cell volume: 4686 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No