Information card for entry 7220461

Structure parameters

• Formula: C16 H11 N Ni0.5 O3.5
• Calculated formula: C16 H11 N Ni0.5 O3.5
• 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: 5.8367 ± 0.00016 Å
• b: 22.119 ± 0.0006 Å
• c: 20.4593 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2641.34 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No