Information card for entry 2234558

Structure parameters

• Chemical name: Tetrakis(1-phenyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato- κ<i>N</i>)nickel(II)
• Formula: C38 H32 N10 Ni S2
• Calculated formula: C38 H32 N10 Ni S2
• SMILES: c1n(c2ccccc2)cc[n]1[Ni]([n]1cn(cc1)c1ccccc1)([n]1cn(cc1)c1ccccc1)([n]1cn(cc1)c1ccccc1)(N=C=S)N=C=S
• Title of publication: Tetrakis(1-phenyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato-κ<i>N</i>)nickel(II)
• Authors of publication: Zheng, Shao-Mei; Liu, Bao-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m623
• a: 9.9418 ± 0.0005 Å
• b: 12.8955 ± 0.0006 Å
• c: 16.7076 ± 0.0008 Å
• α: 68.239 ± 0.001°
• β: 77.563 ± 0.001°
• γ: 67.561 ± 0.001°
• Cell volume: 1831.91 ± 0.15 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: 0.095
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes