Information card for entry 2235606

Structure parameters

• Chemical name: Tetrakis{1-[4-(1<i>H</i>-imidazol-1-yl- κ<i>N</i>^3^)phenyl]ethanone}bis(isothiocyanato-κ<i>N</i>)nickel(II)
• Formula: C46 H40 N10 Ni O4 S2
• Calculated formula: C46 H40 N10 Ni O4 S2
• SMILES: [Ni]([n]1cn(cc1)c1ccc(cc1)C(=O)C)([n]1cn(cc1)c1ccc(cc1)C(=O)C)([n]1cn(cc1)c1ccc(cc1)C(=O)C)([n]1cn(cc1)c1ccc(cc1)C(=O)C)(N=C=S)N=C=S
• Title of publication: Tetrakis{1-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)phenyl]ethanone}bis(isothiocyanato-κ<i>N</i>)nickel(II)
• Authors of publication: Zhao, Juan; Liu, Bao-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m967
• a: 8.4816 ± 0.0004 Å
• b: 8.8834 ± 0.0004 Å
• c: 15.0357 ± 0.0008 Å
• α: 85.701 ± 0.001°
• β: 88.161 ± 0.002°
• γ: 73.684 ± 0.001°
• Cell volume: 1084.12 ± 0.09 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: 0.127
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.2586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes