Information card for entry 2210646

Structure parameters

• Chemical name: Tetrakis(1-ethyl-1H-imidazole-κN^3^)diisothiocyanatonickel(II)
• Formula: C22 H32 N10 Ni S2
• Calculated formula: C22 H32 N10 Ni S2
• SMILES: [Ni](N=C=S)(N=C=S)([n]1cn(CC)cc1)([n]1cn(CC)cc1)([n]1cn(CC)cc1)[n]1cn(CC)cc1
• Title of publication: Tetrakis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)diisothiocyanatonickel(II)
• Authors of publication: Fa-Qian Liu; Hong-Na Chen; Rong-Xun Li; Guang-Ye Liu; Wei-Hua Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2457 - m2458
• a: 8.936 ± 0.002 Å
• b: 13.186 ± 0.003 Å
• c: 13.261 ± 0.003 Å
• α: 72.16 ± 0.03°
• β: 89.2 ± 0.03°
• γ: 71.12 ± 0.03°
• Cell volume: 1401.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes