Information card for entry 7719575

Structure parameters

• Formula: C38 H52 Au Br0.24 Cl0.76 N2 O S3
• Calculated formula: C38 H52 Au Br0.24 Cl0.76 N2 O S3
• Title of publication: Thio-iso-phthalamide pincer ligand-driven oxidative addition of a C-Br bond to gold(I): synthesis and studies of SCS-gold(III) pincer complexes.
• Authors of publication: Raju, Saravanan; Sharangi, Sanhati; Singh, Harkesh B.; Prabhuraj, R. S.; Srivastava, Rohit; Butcher, Ray J.; Kumar, Sangit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 35
• Pages of publication: 13235 - 13245
• a: 17.1186 ± 0.0006 Å
• b: 10.7299 ± 0.0003 Å
• c: 23.2106 ± 0.0008 Å
• α: 90°
• β: 106.511 ± 0.004°
• γ: 90°
• Cell volume: 4087.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No