Information card for entry 7028553

Structure parameters

• Formula: C12 H10 Br2 N2 Zn
• Calculated formula: C12 H10 Br2 N2 Zn
• SMILES: Br[Zn]1(Br)[n]2c(cccc2)C=[N]1c1ccccc1
• 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: 7.8621 ± 0.0003 Å
• b: 8.8368 ± 0.0003 Å
• c: 10.0742 ± 0.0003 Å
• α: 102.598 ± 0.003°
• β: 100.816 ± 0.003°
• γ: 96.996 ± 0.003°
• Cell volume: 661.19 ± 0.04 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No