Information card for entry 1562135

Structure parameters

• Formula: C12 H12 N2 Ni O10 S
• Calculated formula: C12 H8 N2 Ni O10 S
• 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: 13.123 ± 0.003 Å
• b: 6.4658 ± 0.0012 Å
• c: 17.959 ± 0.004 Å
• α: 90°
• β: 98.151 ± 0.003°
• γ: 90°
• Cell volume: 1508.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No