Information card for entry 4500155

Structure parameters

• Formula: C20 H17 Br N2 O5 Zn
• Calculated formula: C20 H17 Br N2 O5 Zn
• Title of publication: Significant Positional Isomeric Effect on Structural Assemblies of Zn(II) and Cd(II) Coordination Polymers Based on Bromoisophthalic Acids and Various Dipyridyl-Type Coligands
• Authors of publication: Ma, Lu-Fang; Li, Xiu-Qin; Meng, Qing-Lei; Wang, Li-Ya; Du, Miao; Hou, Hong-Wei
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 175
• a: 10.997 ± 0.006 Å
• b: 14.578 ± 0.008 Å
• c: 12.963 ± 0.007 Å
• α: 90°
• β: 105.993 ± 0.006°
• γ: 90°
• Cell volume: 1997.7 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0458
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No