Information card for entry 4503989

Structure parameters

• Chemical name: trans-Dichloro-bis(2,4,6-trifluoroaniline-N)-palladium(ii)
• Formula: C12 H8 Cl2 F6 N2 Pd
• Calculated formula: C12 H8 Cl2 F6 N2 Pd
• SMILES: [Pd](Cl)(Cl)([NH2]c1c(F)cc(F)cc1F)[NH2]c1c(F)cc(F)cc1F
• Title of publication: Pd−N−H···Cl−Pd Hydrogen Bonds and π−π Interactions between Fluorinated Aromatic Rings intrans-[PdCl2(NH2ArF)2]
• Authors of publication: Baldovino-Pantaleón, Oscar; Morales-Morales, David; Hernández-Ortega, Simón; Toscano, Rubén A.; Valdés-Martínez, Jesús
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 117
• a: 23.003 ± 0.001 Å
• b: 6.4923 ± 0.0003 Å
• c: 20.888 ± 0.001 Å
• α: 90°
• β: 97.163 ± 0.001°
• γ: 90°
• Cell volume: 3095.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No