Information card for entry 2231614

Structure parameters

• Chemical name: (2-{[2-(1<i>H</i>-Benzimidazol-2-yl-κ<i>N</i>^3^)phenyl]iminomethyl-κ<i>N</i>}-5-methylphenolato-κ<i>O</i>)chloridozinc(II)
• Formula: C21 H16 Cl N3 O Zn
• Calculated formula: C21 H16 Cl N3 O Zn
• SMILES: [Zn]12(Cl)Oc3c(C=[N]2c2c(c4[n]1c1ccccc1[nH]4)cccc2)ccc(c3)C
• Title of publication: (2-{[2-(1<i>H</i>-Benzimidazol-2-yl-κ<i>N</i>^3^)phenyl]iminomethyl-κ<i>N</i>}-5-methylphenolato-κ<i>O</i>)chloridozinc(II)
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1182 - m1183
• a: 8.6338 ± 0.0001 Å
• b: 19.4952 ± 0.0002 Å
• c: 10.9687 ± 0.0001 Å
• α: 90°
• β: 99.675 ± 0.001°
• γ: 90°
• Cell volume: 1819.97 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes