Information card for entry 7063013

Structure parameters

• Formula: C33 H35 Br4 Cl2 N11 O6 Zn
• Calculated formula: C33 H33 Br4 Cl2 N11 O6 Zn
• SMILES: Brc1ccc(O)c(/C=N/[N]2[Zn]3(Oc4c(cc(cc4)Br)C=[N]3NC=2N)(Cl)Cl)c1.Brc1ccc(O)c(c1)/C=N/NC(=[NH2+])N/N=C/c1c(O)ccc(c1)Br.N(C=O)(C)C.O
• Title of publication: An all-rounder aminoguanidine based ligand, its unusual anionic zinc(ii) and cadmium(ii) coordination complexes and their biological implications
• Authors of publication: Santu, Ansa; Hashim, K. K. Mohammed; Manoj, E.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 4496 - 4506
• a: 12.4293 ± 0.0003 Å
• b: 13.9253 ± 0.0003 Å
• c: 14.0492 ± 0.0003 Å
• α: 115.043 ± 0.001°
• β: 99.343 ± 0.001°
• γ: 95.003 ± 0.001°
• Cell volume: 2140.51 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No