Information card for entry 1571495

Structure parameters

• Chemical name: (<i>S</i>~C~,<i>R</i>~S~)-Bromido(<i>N</i>-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-<i>N'</i>-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide
• Formula: C21 H25 Br2 N3 Pd S
• Calculated formula: C21 H25 Br2 N3 Pd S
• Title of publication: (S C,R S)-Bromido(N-{4-methyl-1-[(4-methylphenyl)sulfanyl]pentan-2-yl}-N′-(pyridin-2-yl)imidazol-2-ylidene)palladium(II) bromide
• Authors of publication: Zeng, Xianggui; Xu, Yanze; Guo, Shuling; Xiao, Yongmei; Yuan, Jinwei; Yang, Liangru
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 4
• a: 25.8993 ± 0.0007 Å
• b: 6.6206 ± 0.0002 Å
• c: 13.4938 ± 0.0003 Å
• α: 90°
• β: 96.425 ± 0.002°
• γ: 90°
• Cell volume: 2299.23 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No