Information card for entry 2013489

Structure parameters

• Formula: C22 H22 N6 Ni O5 S2
• Calculated formula: C22 H22 N6 Ni O5 S2
• SMILES: [Ni]123(SS(=O)(=O)O1)([n]1c4ccccc4[nH]c1c1[n]2c(ccc1)c1[n]3c2c([nH]1)cccc2)[O]=CN(C)C.O
• Title of publication: [2,6-Bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>](dimethylformamide-κ<i>O</i>)(thiosulfato-κ^2^<i>O</i>,<i>S</i>)nickel(II) monohydrate
• Authors of publication: Eleonora Freire; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m299 - m301
• a: 9.3815 ± 0.0008 Å
• b: 9.4096 ± 0.0008 Å
• c: 15.1968 ± 0.0013 Å
• α: 72.124 ± 0.002°
• β: 83.169 ± 0.002°
• γ: 67.423 ± 0.002°
• Cell volume: 1178.91 ± 0.18 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: 0.0549
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes