Information card for entry 7060561

Structure parameters

• Formula: C50 H40 Br Cl2 Cu N2 O P2 S
• Calculated formula: C50 H40 Br Cl2 Cu N2 O P2 S
• Title of publication: Mononuclear copper(i) complexes of triphenylphosphine and N,N′-disubstituted thioureas as potential DNA binding chemotherapeutics
• Authors of publication: Khan, Syed Ishtiaq; Ahmad, Sajjad; Khan, Inayat Ali; Badshah, Amin; Rauf, Muhammad Khawar; Putejo, Jahangir Ali; Siddiq, Muhammad Nasir; Kausar, Samia; Altaf, Ataf Ali
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8925 - 8935
• a: 11.1672 ± 0.0002 Å
• b: 12.7045 ± 0.0002 Å
• c: 17.4524 ± 0.0003 Å
• α: 79.417 ± 0.001°
• β: 79.508 ± 0.001°
• γ: 67.431 ± 0.001°
• Cell volume: 2230.47 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No