Information card for entry 7718582

Structure parameters

• Formula: C14 H12 I N Pd S2
• Calculated formula: C14 H12 I N Pd S2
• Title of publication: A palladium thiolate-SNS complex-catalyst for Mizoroki-Heck cross-coupling.
• Authors of publication: Ataie, Saeed; Khanzadeh, Atousa; Tom Baker, R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 8050 - 8054
• a: 11.4163 ± 0.0006 Å
• b: 12.5682 ± 0.0007 Å
• c: 21.6954 ± 0.0013 Å
• α: 90°
• β: 96.603 ± 0.002°
• γ: 90°
• Cell volume: 3092.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No