Information card for entry 7719065

Structure parameters

• Common name: C46H36N4O6(CHCl3)0.5(MeCN)2.5
• Formula: C51.5 H44 Cl1.5 N6.5 O6
• Calculated formula: C51.5 H43.8025 Cl1.5 N6.5 O6
• 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: 10.994 ± 0.0014 Å
• b: 23.218 ± 0.003 Å
• c: 17.421 ± 0.003 Å
• α: 90°
• β: 99.151 ± 0.004°
• γ: 90°
• Cell volume: 4390.3 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No