Information card for entry 7028554

Structure parameters

• Formula: C13 H12 Cl2 N2 Zn
• Calculated formula: C13 H12 Cl2 N2 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(cccc2)C=[N]1c1ccccc1C
• Title of publication: Synthesis and characterization of some water soluble Zn(II) complexes with (E)-N-(pyridin-2-ylmethylene)arylamines that regulate tumour cell death by interacting with DNA.
• Authors of publication: Basu Baul, Tushar S.; Kundu, Sajal; Linden, Anthony; Raviprakash, Nune; Manna, Sunil K.; Guedes da Silva, M Fátima C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1191 - 1202
• a: 13.8601 ± 0.0002 Å
• b: 8.2826 ± 0.0001 Å
• c: 12.6858 ± 0.0002 Å
• α: 90°
• β: 105.682 ± 0.001°
• γ: 90°
• Cell volume: 1402.09 ± 0.04 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No