Information card for entry 7056607

Structure parameters

• Formula: C20 H18 Cl2 Cu N3
• Calculated formula: C20 H18 Cl2 Cu N3
• SMILES: [Cu]12(Cl)(Cl)[n]3c(C=[N]1[C@H]([C@H]([NH2]2)c1ccccc1)c1ccccc1)cccc3.[Cu]12(Cl)(Cl)[n]3c(C=[N]1[C@@H]([C@@H]([NH2]2)c1ccccc1)c1ccccc1)cccc3
• Title of publication: Synthesis, characterization, Crystal structure Electrochemical, Solvatochromic and Biological investigation of Novel N4 and N3 type Cu(II) Schiff base complexes
• Authors of publication: Azary, Akbar; Bezaatpour, Abolfazl; Zahri, Saber; Amiri, Mandana
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 21
• Pages of publication: 12554 - 12561
• a: 7.1742 ± 0.0014 Å
• b: 11.35 ± 0.002 Å
• c: 12.47 ± 0.003 Å
• α: 76.8 ± 0.03°
• β: 75.49 ± 0.03°
• γ: 83.62 ± 0.03°
• Cell volume: 955.5 ± 0.4 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: 0.3636
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.2442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.587
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No