Information card for entry 7037179

Structure parameters

• Formula: C32 H38 B2 F8 N6 Ni O4
• Calculated formula: C32 H38 B2 F8 N6 Ni O4
• SMILES: [B](F)(F)(F)[F-].c1cccc2C[N]3(Cc4cccc[n]4[Ni]453([n]12)[n]1ccccc1C[N]5(Cc1cccc[n]41)CCC(=O)OC)CCC(=O)OC.[B](F)(F)(F)[F-]
• 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: 19.4164 ± 0.0002 Å
• b: 10.3421 ± 0.0001 Å
• c: 17.9742 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3609.33 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No