Information card for entry 7057294

Structure parameters

• Common name: Cu2L2(NCS)2
• Formula: C13 H18 Cu N4 O2 S
• Calculated formula: C13 H18 Cu N4 O2 S
• 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: 11.2788 ± 0.0004 Å
• b: 10.1456 ± 0.0004 Å
• c: 14.1768 ± 0.0005 Å
• α: 90°
• β: 112.976 ± 0.002°
• γ: 90°
• Cell volume: 1493.56 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No