Information card for entry 2009086

Structure parameters

• Chemical name: Triaqua-(2,2'-bipyridyl-N,N')-(thiosulfato-S)-nickel(II) dihydrate
• Formula: C10 H18 N2 Ni O8 S2
• Calculated formula: C10 H18 N2 Ni O8 S2
• SMILES: [Ni]1(SS(=O)(=O)[O-])([OH2])([OH2])([OH2])[n]2ccccc2c2[n]1cccc2.O.O
• Title of publication: Triaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) dihydrate and triaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) monohydrate
• Authors of publication: Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1780 - 1784
• a: 12.377 ± 0.003 Å
• b: 6.974 ± 0.0014 Å
• c: 19.822 ± 0.004 Å
• α: 90°
• β: 102.82 ± 0.03°
• γ: 90°
• Cell volume: 1668.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No