Information card for entry 7719066

Structure parameters

• Common name: [LNi2Na(Me2SO)2](CF3SO3)(Me2SO)
• Formula: C53 H50 F3 N4 Na Ni2 O12 S4
• Calculated formula: C53 H50 F3 N4 Na Ni2 O12 S4
• Title of publication: Synthesis of a xanthene-based macrocyclic imine ligand and two-step planarization by metalation with Ni²⁺ and Na<sup/>.
• Authors of publication: Akine, Shigehisa; Nakano, Masato; Sakata, Yoko; Tsuzuki, Seiji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 30
• Pages of publication: 11573 - 11580
• a: 10.7194 ± 0.0004 Å
• b: 9.1083 ± 0.0003 Å
• c: 26.4196 ± 0.0009 Å
• α: 90°
• β: 99.796 ± 0.002°
• γ: 90°
• Cell volume: 2541.88 ± 0.15 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 8
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No