Information card for entry 8106416

Structure parameters

• Formula: C31 H42 Br2 N4 Pd
• Calculated formula: C31 H42 Br2 N4 Pd
• Title of publication: The crystal structure of 1,3-bis(2,6-diiso-propylphenyl)imidazol-2-ylidene)-dibromido-(1-methyl-1H-imidazole-κ1N)palladium(II) – ethyl acetate – water (1/1/1), C31H42Br2N4Pd
• Authors of publication: Yin, Shun-Chao; Zhou, Yong-Fang; Li, Ye; Qian, Peng-Cheng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 15 - 18
• a: 12.3093 ± 0.0014 Å
• b: 15.2805 ± 0.0018 Å
• c: 20.3205 ± 0.0017 Å
• α: 90°
• β: 112.213 ± 0.005°
• γ: 90°
• Cell volume: 3538.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No