Information card for entry 7062979

Structure parameters

• Formula: C10 H18 Cl4 N4 Pd
• Calculated formula: C10 H18 Cl4 N4 Pd
• Title of publication: A new class of unique quinoidal-like imidazoliumyl tetrazinides: synthesis, structure, and mechanism
• Authors of publication: Geng, Yanxue; Sun, Weijun; Zhang, Weixu; Li, Mengyao; Wang, Guo; Wang, Jianchun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 3467 - 3471
• a: 8.6646 ± 0.0017 Å
• b: 8.0989 ± 0.0016 Å
• c: 12.187 ± 0.002 Å
• α: 90°
• β: 103.52 ± 0.03°
• γ: 90°
• Cell volume: 831.5 ± 0.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No