Information card for entry 7057293

Structure parameters

• Formula: C12 H18 Cu N6 O2
• Calculated formula: C12 H18 Cu N6 O2
• Title of publication: Cu(ii) complexes of a tridentate N,N,O-donor Schiff base of pyridoxal: synthesis, X-ray structures, DNA-binding properties and catecholase activity
• Authors of publication: Mondal, Satyajit; Chakraborty, Moumita; Mondal, Antu; Pakhira, Bholanath; Blake, Alexander J.; Sinn, Ekkehard; Chattopadhyay, Shyamal Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 9588
• a: 6.7641 ± 0.0008 Å
• b: 11.5087 ± 0.0012 Å
• c: 17.8781 ± 0.0019 Å
• α: 90°
• β: 94.172 ± 0.011°
• γ: 90°
• Cell volume: 1388.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No