Information card for entry 2202349

Structure parameters

• Chemical name: tetraaqua(1,2,4,5-benzenetetracarboxylato)(pyrazine)dinickel(II) dihydrate
• Formula: C14 H18 N2 Ni2 O14
• Calculated formula: C14 H18 N2 Ni2 O14
• Title of publication: Polymeric tetraaqua(1,2,4,5-benzenetetracarboxylato)(pyrazine)dinickel(II) dihydrate
• Authors of publication: Yang, Shi-Yao; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m734 - m735
• a: 7.2005 ± 0.0005 Å
• b: 8.0322 ± 0.0005 Å
• c: 9.3735 ± 0.0006 Å
• α: 96.175 ± 0.001°
• β: 101.872 ± 0.001°
• γ: 116.245 ± 0.001°
• Cell volume: 463.5 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes