Information card for entry 1565393

Structure parameters

• Formula: C20 H15 Cl2 N3 O2 Pd
• Calculated formula: C20 H15 Cl2 N3 O2 Pd
• SMILES: [Pd]1(Cl)([n]2ccccc2C#Cc2cc(OC)c(OC)cc2C#Cc2[n]1cc[nH]2)Cl
• Title of publication: Synthesis of 4-[(2-imidazylethynyl)]-5-(2-pyridylethynyl)veratrole and characterization of the coordination complexes with silver(I) and palladium(II)
• Authors of publication: Nwachukwu, Chideraa I.; Bosch, Eric
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119328
• a: 11.142 ± 0.0007 Å
• b: 27.3615 ± 0.0017 Å
• c: 7.4271 ± 0.0005 Å
• α: 90°
• β: 95.878 ± 0.001°
• γ: 90°
• Cell volume: 2252.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No