Information card for entry 7028556

Structure parameters

• Formula: C14 H12 Br2 N2 O2 Zn
• Calculated formula: C14 H12 Br2 N2 O2 Zn
• SMILES: Br[Zn]1(Br)[n]2c(cccc2)C=[N]1c1ccc(cc1)C(=O)OC
• 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: 17.6449 ± 0.0003 Å
• b: 13.1494 ± 0.0002 Å
• c: 13.8486 ± 0.0002 Å
• α: 90°
• β: 99.4538 ± 0.0015°
• γ: 90°
• Cell volume: 3169.51 ± 0.09 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 6
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.057
• 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