Information card for entry 4513920

Structure parameters

• Formula: C20 H18 Cl4 N8 Pd2
• Calculated formula: C20 H18 Cl4 N8 Pd2
• SMILES: c1ccn2C(c3ccc(C4n5ccc[n]5[Pd]([n]5cccn45)(Cl)Cl)cc3)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: 7.602 ± 0.001 Å
• b: 8.298 ± 0.0011 Å
• c: 10.7372 ± 0.0015 Å
• α: 99.281 ± 0.004°
• β: 104.335 ± 0.004°
• γ: 102.182 ± 0.004°
• Cell volume: 624.94 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1304
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No