Information card for entry 7058102

Structure parameters

• Formula: C36 H30 Br Cu N6 O3 S6
• Calculated formula: C36 H30 Br Cu N6 O3 S6
• 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: 10.105 ± 0.003 Å
• b: 11.067 ± 0.003 Å
• c: 19.715 ± 0.005 Å
• α: 100.277 ± 0.003°
• β: 97.167 ± 0.003°
• γ: 112.992 ± 0.003°
• Cell volume: 1950.5 ± 0.9 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No