Information card for entry 7220459

Structure parameters

• Formula: C13 H8.5 Cu0.5 N0.5 O3
• Calculated formula: C13 H8.5 Cu0.5 N0.5 O3
• Title of publication: Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand
• Authors of publication: Bing, Yingying; Yu, Meihui; ming, hu
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.434 ± 0.002 Å
• b: 19.805 ± 0.004 Å
• c: 10.6271 ± 0.0013 Å
• α: 90°
• β: 130.336 ± 0.009°
• γ: 90°
• Cell volume: 2315.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1532
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No