Information card for entry 2219932

Structure parameters

• Chemical name: Aqua(2,2'-bipyridyl)(pyrazine-2,6-dicarboxylato)nickel(II) 1.25-hydrate
• Formula: C16 H14.5 N4 Ni O6.25
• Calculated formula: C16 H14.5 N4 Ni O6.25
• Title of publication: Aqua(2,2'-bipyridyl)(pyrazine-2,6-dicarboxylato)nickel(II) 1.25-hydrate
• Authors of publication: Wang, Feng-Qin; Zhang, Yuan-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1480 - m1481
• a: 10.7616 ± 0.0012 Å
• b: 14.8677 ± 0.0017 Å
• c: 21.933 ± 0.002 Å
• α: 90°
• β: 101.015 ± 0.002°
• γ: 90°
• Cell volume: 3444.6 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes