Information card for entry 2023293

Structure parameters

• Chemical name: [μ~2~-7-[{Bis(pyridin-2-ylmethyl)amino-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}methyl]-5-chloroquinolin-8-olato-2κ<i>N</i>;1:2κ^2^<i>O</i>]trichlorido-1κ<i>Cl</i>,2κ^2^<i>Cl</i>-dizinc(II)
• Formula: C22 H18 Cl4 N4 O Zn2
• Calculated formula: C22 H18 Cl4 N4 O Zn2
• SMILES: [Zn]1(Cl)(Cl)[O]2[Zn]34(Cl)[N](Cc5c2c2[n]1cccc2c(Cl)c5)(Cc1[n]3cccc1)Cc1[n]4cccc1
• Title of publication: Crystal structure of (μ2-7-{[bis(pyridin-2-ylmethyl)amino-1κ3 N,N′,N′′]methyl}-5-chloroquinolin-8-olato-2κN;1:2κ2 O)trichlorido-1κCl,2κ2 Cl-dizinc(II)
• Authors of publication: Kubono, Koji; Tanaka, Kanata; Tani, Keita; Kashiwagi, Yukiyasu
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 1175 - 1179
• a: 35.5812 ± 0.0004 Å
• b: 29.757 ± 0.0003 Å
• c: 8.8942 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9417.09 ± 0.18 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No