Information card for entry 7227100

Structure parameters

• Formula: C12 H9 N O4 Zn
• Calculated formula: C12 H8 N O4 Zn
• Title of publication: Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties
• Authors of publication: Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 48
• Pages of publication: 9307
• a: 12.38 ± 0.005 Å
• b: 6.836 ± 0.003 Å
• c: 13.578 ± 0.005 Å
• α: 90°
• β: 114.624 ± 0.007°
• γ: 90°
• Cell volume: 1044.6 ± 0.7 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: 0.1071
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No