Information card for entry 7022816

Structure parameters

• Chemical name: N,N-bis(phenyl)-2,6-bis-(benzimidazol-2-yl)pyridine dichoride zinc(II)
• Formula: C31 H21 Cl2 N5 Zn
• Calculated formula: C31 H21 Cl2 N5 Zn
• SMILES: [Zn]12([n]3c4ccccc4n(c4ccccc4)c3c3[n]1c(ccc3)c1[n]2c2c(n1c1ccccc1)cccc2)(Cl)Cl
• Title of publication: Zinc(II) complexes containing bis-benzimidazole derivatives as a new class of apoptosis inducers that trigger DNA damage-mediated p53 phosphorylation in cancer cells.
• Authors of publication: Liu, Shenggui; Cao, Wenqiang; Yu, Lianling; Zheng, Wenjie; Li, Linlin; Fan, Cundong; Chen, Tianfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5932 - 5940
• a: 15.743 ± 0.002 Å
• b: 9.4359 ± 0.0014 Å
• c: 17.663 ± 0.003 Å
• α: 90°
• β: 90.993 ± 0.002°
• γ: 90°
• Cell volume: 2623.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No