Information card for entry 2011199

Structure parameters

• Chemical name: Bis-(2,10-phenanthroline-N,N')-(thiosulfato-O,S)-nickel(II) hydrate, methanol solvate
• Formula: C25.4 H23.44 N4 Ni O5.32 S2
• Calculated formula: C25.403 H16 N4 Ni O5.3225 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: 12.613 ± 0.002 Å
• b: 18.855 ± 0.003 Å
• c: 11.3048 ± 0.0019 Å
• α: 90.467 ± 0.018°
• β: 100.365 ± 0.015°
• γ: 87.202 ± 0.013°
• Cell volume: 2641.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes