Information card for entry 2243180

Structure parameters

• Chemical name: Poly[tris(μ~4~-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]
• Formula: C36 H40 N4 Ni3 O16
• Calculated formula: C36 H40 N4 Ni3 O16
• Title of publication: Crystal structure and Hirshfeld surface analysis of poly[tris(μ~4~-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network
• Authors of publication: Ajpi, Cesario; Suescun, Leopoldo; Leiva, Naviana; Lundblad, Anders; Lindbergh, Göran; Cabrera, Saul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• Pages of publication: 1839 - 1843
• a: 14.0309 ± 0.0016 Å
• b: 9.6335 ± 0.0011 Å
• c: 16.5804 ± 0.0019 Å
• α: 90°
• β: 109.23 ± 0.005°
• γ: 90°
• Cell volume: 2116.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes