Information card for entry 4319867

Structure parameters

• Formula: C20 H12 Cl2 N2 Pd
• Calculated formula: C20 H12 Cl2 N2 Pd
• SMILES: [Pd]1([n]2ccccc2C#Cc2ccccc2C#Cc2[n]1cccc2)(Cl)Cl
• Title of publication: 1,2-Bis(2-pyridylethynyl)benzene, a Novel Trans-Chelating Bipyridyl Ligand. Structural Characterization of the Complexes with Silver(I) Triflate and Palladium(II) Chloride
• Authors of publication: Eric Bosch; Charles L. Barnes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3097 - 3100
• a: 7.4297 ± 0.0009 Å
• b: 8.41 ± 0.001 Å
• c: 15.1003 ± 0.0018 Å
• α: 80.269 ± 0.002°
• β: 87.255 ± 0.002°
• γ: 70.697 ± 0.002°
• Cell volume: 877.64 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No