Information card for entry 4346770

Structure parameters

• Formula: C13 H13 Cl2 N4 Pd
• Calculated formula: C13 H13 Cl2 N4 Pd
• SMILES: [Pd]12([n]3c(N=[N]2c2c([N]1(C)C)cccc2Cl)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: 10.54 ± 0.005 Å
• b: 10.89 ± 0.005 Å
• c: 12.786 ± 0.005 Å
• α: 96.823 ± 0.005°
• β: 97.327 ± 0.005°
• γ: 95.295 ± 0.005°
• Cell volume: 1436.7 ± 1.1 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: 0.0549
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No