Information card for entry 7719067

Structure parameters

• Common name: LNi2_0.67H2O_0.67MeOH_1.33Me2SO
• Formula: C49.33 H44 N4 Ni2 O8.67 S1.33
• Calculated formula: C49.3333 H44 N4 Ni2 O8.66667 S1.33333
• 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: 16.3754 ± 0.0005 Å
• b: 21.6479 ± 0.0006 Å
• c: 19.6275 ± 0.0006 Å
• α: 90°
• β: 111.412 ± 0.001°
• γ: 90°
• Cell volume: 6477.6 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• 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: 0.0384
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No