Information card for entry 2233497

Structure parameters

• Chemical name: <i>trans</i>-Tetrakis(1-allyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato- κ<i>N</i>)nickel(II)
• Formula: C26 H32 N10 Ni S2
• Calculated formula: C26 H32 N10 Ni S2
• SMILES: [Ni]([n]1cn(CC=C)cc1)([n]1cn(CC=C)cc1)([n]1cn(CC=C)cc1)([n]1cn(CC=C)cc1)(N=C=S)N=C=S
• Title of publication: <i>trans</i>-Tetrakis(1-allyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato-κ<i>N</i>)nickel(II)
• Authors of publication: Zheng, Shao-Mei; Jin, Yan-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m188 - m189
• a: 8.839 ± 0.0018 Å
• b: 9.539 ± 0.0019 Å
• c: 10.515 ± 0.002 Å
• α: 70.22 ± 0.03°
• β: 65.29 ± 0.03°
• γ: 86.66 ± 0.03°
• Cell volume: 754.3 ± 0.4 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: 0.052
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes