Information card for entry 7124321

Structure parameters

• Formula: C18 H18 Br2 F8 N2 O2 Pd
• Calculated formula: C18 H18 Br2 F8 N2 O2 Pd
• Title of publication: The first two examples of halogen bonding with a sigma hole-donating fluorine in Csp3-F…Osp3 interaction from polyfluorinated trans-dihalo-palladium(II) di-substituted pyridine complexes
• Authors of publication: Elakkat, Vijayanath; Chang, Chu-Jun; Chen, Jun-Yu; Fang, Yung-Cheng; Shen, Chia-Rui; LIU, Ling-Kang; Lu, Norman
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.2992 ± 0.0003 Å
• b: 18.6059 ± 0.0007 Å
• c: 8.7965 ± 0.0004 Å
• α: 90°
• β: 110.215 ± 0.002°
• γ: 90°
• Cell volume: 1121.05 ± 0.08 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• 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: 0.0163
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No