Information card for entry 7017166

Structure parameters

• Common name: Chlorotriphenylphosphine-bis(N- diphenyl(carbamothioyl)benzamide)copper(i)
• Formula: C58 H49 Cl Cu N4 O3 P S2
• Calculated formula: C58 H47 Cl Cu N4 O2.464 P S2
• Title of publication: Monodentate coordination of N-[di(phenyl/ethyl)carbamothioyl]benzamide ligands: synthesis, crystal structure and catalytic oxidation property of Cu(i) complexes.
• Authors of publication: Gunasekaran, Nanjappan; Ramesh, Pandian; Ponnuswamy, Mondikalipudur Nanjappa Gounder; Karvembu, Ramasamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 46
• Pages of publication: 12519 - 12526
• a: 21.1426 ± 0.0015 Å
• b: 10.4879 ± 0.0008 Å
• c: 25.057 ± 0.0017 Å
• α: 90°
• β: 108.708 ± 0.003°
• γ: 90°
• Cell volume: 5262.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1043
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No