Information card for entry 4500153

Structure parameters

• Formula: C21 H19 Br Cd N2 O5
• Calculated formula: C21 H19 Br Cd N2 O5
• 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: 14.3379 ± 0.0015 Å
• b: 18.9193 ± 0.0019 Å
• c: 16.5885 ± 0.0017 Å
• α: 90°
• β: 100.739 ± 0.001°
• γ: 90°
• Cell volume: 4421 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No