Information card for entry 2019197

Structure parameters

• Chemical name: Poly[diaqua[μ~4~-4-(isonicotinamido)phthalato]nickel(II)]
• Formula: C14 H12 N2 Ni O7
• Calculated formula: C14 H12 N2 Ni O7
• Title of publication: Poly[diaqua[μ~4~-4-(isonicotinamido)phthalato]nickel(II)] displaying an <b>sra</b> topology
• Authors of publication: Chen, Man-Sheng; Xu, Jin-Sheng; Deng, Yi-Fang; Zhang, Chun-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: 1124 - 1127
• a: 6.5322 ± 0.0008 Å
• b: 30.456 ± 0.004 Å
• c: 7.2856 ± 0.0007 Å
• α: 90°
• β: 91.223 ± 0.003°
• γ: 90°
• Cell volume: 1449.1 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No