Information card for entry 2220038

Structure parameters

• Chemical name: Bis{6-methoxy-6-[(4-methylphenyl)iminiomethyl]phenolato- κ<i>O</i>^1^}bis(thiocyanato-κ<i>N</i>)zinc(II)
• Formula: C32 H30 N4 O4 S2 Zn
• Calculated formula: C32 H30 N4 O4 S2 Zn
• SMILES: [Zn](N=C=S)(Oc1c(/C=[NH+]/c2ccc(C)cc2)cccc1OC)(N=C=S)Oc1c(/C=[NH+]/c2ccc(C)cc2)cccc1OC
• Title of publication: Bis{2-methoxy-6-[(4-methylphenyl)iminiomethyl]phenolato-κ<i>O</i>^1^}bis(thiocyanato-κ<i>N</i>)zinc(II)
• Authors of publication: Li, Hua-Qiong; Xian, Hui-Duo; Liu, Jian-Feng; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1495
• a: 9.383 ± 0.0002 Å
• b: 11.7146 ± 0.0002 Å
• c: 15.7328 ± 0.0003 Å
• α: 107.783 ± 0.001°
• β: 99.445 ± 0.001°
• γ: 94.173 ± 0.001°
• Cell volume: 1610.41 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes