Information card for entry 2236913

Structure parameters

• Chemical name: Bis[2-({[2-(methylsulfanyl)phenyl]imino}methyl)phenolato- κ^2^<i>N</i>,<i>O</i>]zinc chloroform disolvate
• Formula: C30 H26 Cl6 N2 O2 S2 Zn
• Calculated formula: C30 H26 Cl6 N2 O2 S2 Zn
• SMILES: S(C)c1ccccc1[N]1[Zn]2([N](c3c(SC)cccc3)=Cc3ccccc3O2)Oc2c(C=1)cccc2.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Bis[2-({[2-(methylsulfanyl)phenyl]imino}methyl)phenolato-κ^2^<i>N</i>,<i>O</i>]zinc chloroform disolvate
• Authors of publication: Chen, Yen-Jen; Hsiao, Mon-Wei; Jheng, Nai-Yuan; Lai, Yi-Chun; Chen, Hsuan-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1496
• a: 10.5673 ± 0.0009 Å
• b: 21.5085 ± 0.0019 Å
• c: 15.1215 ± 0.0014 Å
• α: 90°
• β: 97.309 ± 0.002°
• γ: 90°
• Cell volume: 3409 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes