Information card for entry 7037174

Structure parameters

• Formula: C23 H21 N5 O8 Zn
• Calculated formula: C23 H21 N5 O8 Zn
• SMILES: [Zn]12([n]3c4ccccc4ccc3C[N]2(Cc2[n]1c1c(cc2)cccc1)CC(=O)OC)(ON(=O)=O)ON(=O)=O
• 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: 13.9549 ± 0.0004 Å
• b: 12.219 ± 0.0004 Å
• c: 14.951 ± 0.0004 Å
• α: 90°
• β: 111.883 ± 0.002°
• γ: 90°
• Cell volume: 2365.68 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No