Information card for entry 2205248

Structure parameters

• Chemical name: catena-Poly[[[diaqua(2-sulfonatobenzoato)nickel(II)]-μ-1,2-di-4- pyridylethylene] 0.25-hydrate]
• Formula: C19 H18.5 N2 Ni O7.25 S
• Calculated formula: C19 H18 N2 Ni O7.25 S
• Title of publication: <i>catena</i>-Poly[[[diaqua(2-sulfonatobenzoato)nickel(II)]-μ-1,2-di-4-pyridylethylene] 0.25-hydrate]
• Authors of publication: Xiao, Hong-Ping; Li, Xin-Hua; Hu, Mao-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m506 - m508
• a: 17.1636 ± 0.0009 Å
• b: 16.518 ± 0.0009 Å
• c: 14.6151 ± 0.0008 Å
• α: 90°
• β: 100.798 ± 0.001°
• γ: 90°
• Cell volume: 4070.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes