Information card for entry 1562134

Structure parameters

• Formula: C12 H10 N2 Ni O6
• Calculated formula: C12 H6 N2 Ni O6
• Title of publication: Syntheses, structures and properties of three metal‒organic complexes containing 2,2′-dipyridyl-5,5′-dicarboxylate ligands
• Authors of publication: Liu, Jiancai; Zhang, Yudong; Shang, Sensen; Li, Yanzhou; Chen, Lijuan; Zhao, Junwei
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 221
• Pages of publication: 5 - 13
• a: 11.9004 ± 0.0016 Å
• b: 8.349 ± 0.0011 Å
• c: 16.2815 ± 0.0016 Å
• α: 90°
• β: 129.965 ± 0.006°
• γ: 90°
• Cell volume: 1239.8 ± 0.3 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: 0.0347
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No