Information card for entry 4346772

Structure parameters

• Formula: C18 H16 Cl N4 Pd
• Calculated formula: C18 H16 Cl N4 Pd
• SMILES: [Pd]12([n]3ccccc3N=[N]2c2ccccc2[N]1(C)c1ccccc1)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: 19.819 ± 0.003 Å
• b: 10.3894 ± 0.0013 Å
• c: 18.274 ± 0.004 Å
• α: 90°
• β: 118.773 ± 0.002°
• γ: 90°
• Cell volume: 3298.2 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 0.735
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No