Information card for entry 7060560

Structure parameters

• Formula: C51 H40 Br Cl6 Cu N2 O P2 S
• Calculated formula: C51 H40 Br Cl6 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: 11.2132 ± 0.0002 Å
• b: 13.2839 ± 0.0002 Å
• c: 17.6392 ± 0.0002 Å
• α: 86.14°
• β: 76.508 ± 0.001°
• γ: 75.512 ± 0.001°
• Cell volume: 2473.58 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No