Information card for entry 2011200

Structure parameters

• Chemical name: Bis-(2,2'-bipyridyl-N,N')-(thiosulfato-O,S)-nickel(II), hydrate, methanol solvate
• Formula: C20.55 H22.2 N4 Ni O5.55 S2
• Calculated formula: C20.548 H22.192 N4 Ni O5.548 S2
• Title of publication: Bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>O</i>,<i>S</i>)nickel(II)‒water‒methanol (1/0.92/1.4) and bis(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>O</i>,<i>S</i>)nickel(II)‒water‒methanol (1/2/0.55)
• Authors of publication: Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mariezcurrena, Raúl
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 926 - 929
• a: 20.754 ± 0.004 Å
• b: 20.895 ± 0.004 Å
• c: 14.402 ± 0.003 Å
• α: 90°
• β: 132.919 ± 0.012°
• γ: 90°
• Cell volume: 4573.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.142
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes