Information card for entry 4503984

Structure parameters

• Chemical name: trans-Dichloro-bis(2,5-difluoroaniline-N)-palladium(ii)
• Formula: C12 H10 Cl2 F4 N2 Pd
• Calculated formula: C12 H10 Cl2 F4 N2 Pd
• SMILES: c1(ccc(cc1[NH2][Pd]([NH2]c1c(ccc(c1)F)F)(Cl)Cl)F)F
• 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: 13.8 ± 0.001 Å
• b: 6.187 ± 0.001 Å
• c: 8.582 ± 0.001 Å
• α: 90°
• β: 97.225 ± 0.002°
• γ: 90°
• Cell volume: 726.92 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No