Information card for entry 4503987

Structure parameters

• Formula: C12 H8 Cl2 F6 N2 Pd
• Calculated formula: C12 H8 Cl2 F6 N2 Pd
• SMILES: c1(c(c(c(cc1)F)F)F)[NH2][Pd](Cl)([NH2]c1c(c(c(cc1)F)F)F)Cl
• 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: 4.8442 ± 0.0003 Å
• b: 5.9318 ± 0.0004 Å
• c: 25.7188 ± 0.0016 Å
• α: 90°
• β: 94.572 ± 0.001°
• γ: 90°
• Cell volume: 736.67 ± 0.08 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0228
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No