Information card for entry 2015876

Structure parameters

• Chemical name: catena-poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^N:N'] sulfate methanol solvate monohydrate
• Formula: C11 H22 N2 Ni O10 S
• Calculated formula: C11 H22 N2 Ni O10 S
• SMILES: [Ni]([OH2])([OH2])([OH2])([OH2])[n]1ccccc1c1cc[n](cc1)[Ni]([OH2])([OH2])([OH2])([OH2])[n]1ccccc1c1ccncc1.S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].OC.OC.O.O
• Title of publication: An unusual <i>P</i>3~1~2 framework for the Ni(4,4'-bipyridine)(H~2~O)~4~ chain
• Authors of publication: M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m153 - m156
• a: 11.2916 ± 0.001 Å
• b: 11.2916 ± 0.001 Å
• c: 23.66 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2612.5 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes