Information card for entry 7037172

Structure parameters

• Formula: C16 H19 Br2 N3 O2 Zn
• Calculated formula: C16 H19 Br2 N3 O2 Zn
• SMILES: [Zn]12(Br)(Br)[n]3ccccc3C[N]2(Cc2[n]1cccc2)CCC(=O)OC
• Title of publication: Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.
• Authors of publication: Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2845 - 2858
• a: 7.5873 ± 0.0007 Å
• b: 8.5099 ± 0.0008 Å
• c: 17.2513 ± 0.0013 Å
• α: 79.837 ± 0.006°
• β: 85.822 ± 0.005°
• γ: 67.11 ± 0.004°
• Cell volume: 1010.04 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No