Information card for entry 7037173

Structure parameters

• Formula: C15 H17 N5 O8 Zn
• Calculated formula: C15 H17 N5 O8 Zn
• SMILES: [Zn]123([n]4ccccc4C[N]2(Cc2[n]1cccc2)CC(=O)OC)(ON(=O)=O)ON(=[O]3)=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: 8.0542 ± 0.0005 Å
• b: 8.5048 ± 0.0006 Å
• c: 16.0539 ± 0.0008 Å
• α: 84.712 ± 0.005°
• β: 86.468 ± 0.005°
• γ: 77.287 ± 0.006°
• Cell volume: 1067.19 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0792
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2338
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No