Information card for entry 1570840

Structure parameters

• Chemical name: 1D-DGIST-18
• Formula: C30 H39 N O11 S5 Zn
• Calculated formula: C30 H39 N O11 S5 Zn
• Title of publication: Solvent-induced structural transformation in a one-dimensional coordination polymer.
• Authors of publication: Jin, Kangwoo; Park, Nohyoon; Ahn, Yongdeok; Seo, Daeha; Moon, Dohyun; Sung, Jooyoung; Park, Jinhee
• Journal of publication: Nanoscale
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 4571 - 4577
• a: 12.558 ± 0.003 Å
• b: 16.386 ± 0.003 Å
• c: 18.212 ± 0.004 Å
• α: 90°
• β: 103.9 ± 0.03°
• γ: 90°
• Cell volume: 3637.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0624
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No