Information card for entry 1557192

Structure parameters

• Common name: Bis-{N-[(2-pyrrolyl)methylidene]-N'-tosylbenzene-1,2-diaminato}zinc(II)
• Formula: C36 H32 N6 O4 S2 Zn
• Calculated formula: C36 N6 O4 S2 Zn
• SMILES: S(=O)(=O)(c1ccc(cc1)C)N1c2ccccc2[N]([Zn]21[N](c1c(cccc1)N2S(=O)(=O)c1ccc(cc1)C)=Cc1[nH]ccc1)=Cc1[nH]ccc1
• Title of publication: Electrochemical Synthesis of Zinc and Cadmium Complexes with N-[(2-pyrrolyl)methylidyne]-N'-tosylbenzene-1,2-diamine. The Crystal Structure of Bis-{N-[(2-pyrrolyl)methylidene]-N'-tosylbenzene-1,2-diaminato}zinc(II)
• Authors of publication: Romero, Jaime; Garcia-Vazquez, Jose A.; Duran, Maria L.; Castineiras, Alfonso; Sousa, Antonio; Garnovskii, Alexander D.; Garnovskii, D. A.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 672 - 675
• a: 21.811 ± 0.007 Å
• b: 11.523 ± 0.002 Å
• c: 14.063 ± 0.004 Å
• α: 90°
• β: 98.64 ± 0.02°
• γ: 90°
• Cell volume: 3494.3 ± 1.6 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 3.52
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No