Information card for entry 4346771

Structure parameters

• Formula: C18 H15 Cl2 N4 Pd
• Calculated formula: C18 H15 Cl2 N4 Pd
• SMILES: [Pd]12([n]3c(N=[N]2c2ccc(Cl)cc2[N]1(c1ccccc1)C)cccc3)Cl
• Title of publication: Regioselective ortho Amination of Coordinated 2-(Arylazo)pyridine. Isolation of Monoradical Palladium Complexes of a New Series of Azo-Aromatic Pincer Ligands.
• Authors of publication: Sengupta, Debabrata; Chowdhury, Nabanita Saha; Samanta, Subhas; Ghosh, Pradip; Seth, Saikat Kumar; Demeshko, Serhiy; Meyer, Franc; Goswami, Sreebrata
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11465 - 11476
• a: 7.245 ± 0.005 Å
• b: 9.789 ± 0.005 Å
• c: 12.606 ± 0.005 Å
• α: 91.937 ± 0.005°
• β: 91.401 ± 0.005°
• γ: 91.477 ± 0.005°
• Cell volume: 892.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No