Information card for entry 7114010

Structure parameters

• Formula: C18 H11 Cu2 N2 O5
• Calculated formula: C18 H11 Cu2 N2 O5
• Title of publication: A mixed-valence copper coordination polymer generated by hydrothermal metal/ligand redox reactions
• Authors of publication: Tao, Jun; Zhang, Yong; Tong, Ming-Liang; Chen, Xiao-Ming; Yuen, Tan; Lin, C. L.; Huang, Xiaoying; Li, Jing
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1342 - 1343
• a: 5.331 ± 0.001 Å
• b: 22.863 ± 0.007 Å
• c: 13.088 ± 0.004 Å
• α: 90°
• β: 91.54°
• γ: 90°
• Cell volume: 1594.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0941
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No