Information card for entry 4082705

Structure parameters

• Formula: C64 H68 Br4 N4 Pd2 S2
• Calculated formula: C64 H68 Br4 N4 Pd2 S2
• Title of publication: Benzimidazolin-2-ylidene Complexes of Palladium(II) Featuring a Thioether Moiety: Synthesis, Characterization, Molecular Dynamics, and Catalytic Activities
• Authors of publication: Bernhammer, Jan C.; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1266
• a: 8.9485 ± 0.0004 Å
• b: 11.9417 ± 0.0006 Å
• c: 14.7246 ± 0.0007 Å
• α: 91.252 ± 0.001°
• β: 94.083 ± 0.001°
• γ: 101.605 ± 0.001°
• Cell volume: 1536.34 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No