Information card for entry 4513919

Structure parameters

• Formula: C20 H18 Cl4 N8 Pd2
• Calculated formula: C20 H18 Cl4 N8 Pd2
• SMILES: c1ccn2C(c3cc(C4n5ccc[n]5[Pd]([n]5cccn45)(Cl)Cl)ccc3)n3ccc[n]3[Pd]([n]12)(Cl)Cl
• Title of publication: Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone
• Authors of publication: Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 5535
• a: 13.098 ± 0.004 Å
• b: 14.599 ± 0.004 Å
• c: 14.668 ± 0.004 Å
• α: 90°
• β: 113.234 ± 0.012°
• γ: 90°
• Cell volume: 2577.3 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0955
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No