Information card for entry 4506672

Structure parameters

• Formula: C18 H11 N2 O5 Zn
• Calculated formula: C18 H11 N2 O5 Zn
• Title of publication: A Series of Cd(II) and Zn(II) Coordination Polymers with Helical Subunits Assembled from a Versatile 3-(4-hydroxypyridinium-1-yl) Phthalic Acid and N-Donor Ancillary Coligands
• Authors of publication: Sun, Xiao-Li; Wang, Zhi-Jie; Zang, Shuang-Quan; Song, Wen-Chao; Du, Chen-Xia
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4431
• a: 9.0309 ± 0.001 Å
• b: 16.6234 ± 0.0018 Å
• c: 10.71 ± 0.0012 Å
• α: 90°
• β: 99.273 ± 0.011°
• γ: 90°
• Cell volume: 1586.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No