Information card for entry 2022822

Structure parameters

• Chemical name: Poly[(acetonitrile-κ<i>N</i>)(μ~3~-7-{[bis(pyridin-2-ylmethyl)amino]methyl}-8-hydroxyquinoline-5-sulfonato-κ^4^<i>N</i>,<i>O</i>:<i>O</i>':<i>O</i>'')sodium]
• Formula: C24 H22 N5 Na O4 S
• Calculated formula: C24 H22 N5 Na O4 S
• Title of publication: Crystal structure of poly[(acetonitrile-κN)(μ3-7-{[bis(pyridin-2-ylmethyl)amino]methyl}-8-hydroxyquinoline-5-sulfonato-κ4 N,O:O′:O′′)sodium]
• Authors of publication: Kubono, Koji; Tanaka, Ryoichi; Kashiwagi, Yukiyasu; Tani, Keita; Yokoi, Kunihiko
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 8
• a: 10.4951 ± 0.0004 Å
• b: 14.1401 ± 0.0005 Å
• c: 16.9249 ± 0.0006 Å
• α: 90°
• β: 106.378 ± 0.008°
• γ: 90°
• Cell volume: 2409.77 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes