Information card for entry 7058959

Structure parameters

• Chemical name: Iodo-(N-carbamothioylacetamide)-bis(triphenylphosphine)-copper(i)
• Formula: C39 H36 Cu I N2 O P2 S
• Calculated formula: C39 H36 Cu I N2 O P2 S
• Title of publication: Heteroleptic Copper (I) halides with triphenylphosphine and acetylthiourea: Synthesis, Characterization and Biological Studies (Experimental and Molecular Docking)
• Authors of publication: Khan, Syed Ishtiaq; Ahmad, Sajjad; Altaf, Ataf Ali; Badshah, Amin; Rauf, Muhammad Khawer; Azam, Syed Skander; Tahir, Muhammad Nawaz
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 48
• Pages of publication: 19318 - 19330
• a: 14.149 ± 0.003 Å
• b: 13.291 ± 0.002 Å
• c: 20.563 ± 0.005 Å
• α: 90°
• β: 100.843 ± 0.012°
• γ: 90°
• Cell volume: 3797.9 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.113
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No