Information card for entry 7058103

Structure parameters

• Formula: C36 H30 Br0.72 Cl0.29 Cu N6 O6 S3
• Calculated formula: C36 H30 Br0.72 Cl0.29 Cu N6 O6 S3
• Title of publication: Highly active copper(i) complexes of aroylthiourea ligands against cancer cells ‒ synthetic and biological studies
• Authors of publication: Jeyalakshmi, Kumaramangalam; Haribabu, Jebiti; Balachandran, Chandrasekar; Narmatha, Eswaramoorthi; Bhuvanesh, Nattamai S. P.; Aoki, Shin; Awale, Suresh; Karvembu, Ramasamy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 3188
• a: 9.942 ± 0.002 Å
• b: 10.631 ± 0.002 Å
• c: 19.827 ± 0.004 Å
• α: 100.087 ± 0.002°
• β: 97.217 ± 0.002°
• γ: 111.76 ± 0.002°
• Cell volume: 1874.1 ± 0.6 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No