Information card for entry 2235857

Structure parameters

• Chemical name: Aquachloridobis[2-(1,3-thiazol-4-yl-κ<i>N</i>)- 1<i>H</i>-benzimidazole-κ<i>N</i>^3^]nickel(II) nitrate
• Formula: C20 H16 Cl N7 Ni O4 S2
• Calculated formula: C20 H16 Cl N7 Ni O4 S2
• SMILES: [Ni]12(Cl)([OH2])([n]3c(c4[n]2c2c([nH]4)cccc2)csc3)[n]2c3c([nH]c2c2[n]1csc2)cccc3.O=N(=O)[O-]
• Title of publication: Aquachloridobis[2-(1,3-thiazol-4-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]nickel(II) nitrate
• Authors of publication: Liang, Peng; Wu, Wei; Tian, Wei-Man; Yin, Xian-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1029
• a: 16.091 ± 0.005 Å
• b: 11.189 ± 0.003 Å
• c: 13.931 ± 0.003 Å
• α: 90°
• β: 113.275 ± 0.003°
• γ: 90°
• Cell volume: 2304.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes