Information card for entry 7211637

Structure parameters

• Formula: C8 H3 Cu2 N O7
• Calculated formula: C8 H3 Cu2 N O7
• Title of publication: Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates
• Authors of publication: Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 425
• a: 8.909 ± 0.002 Å
• b: 12.33 ± 0.003 Å
• c: 17.476 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1919.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No