Information card for entry 2009087

Structure parameters

• Chemical name: Triaqua-(2,10-phenanthroline-N,N')-(thiosulfato-S)-nickel(II) monohydrate.
• Formula: C12 H16 N2 Ni O7 S2
• Calculated formula: C12 H16 N2 Ni O7 S2
• SMILES: [Ni]1([OH2])([OH2])([OH2])(SS(=O)(=O)[O])[n]2cccc3ccc4ccc[n]1c4c23.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: 8.434 ± 0.002 Å
• b: 8.782 ± 0.002 Å
• c: 11.344 ± 0.002 Å
• α: 90.47 ± 0.03°
• β: 91.27 ± 0.03°
• γ: 104.23 ± 0.03°
• Cell volume: 814.2 ± 0.3 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: 0.026
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No