Information card for entry 4513918

Structure parameters

• Formula: C14 H14 Cl4 N8 Pd2
• Calculated formula: C14 H14 Cl4 N8 Pd2
• SMILES: [Pd]1(Cl)(Cl)[n]2n(C(n3[n]1ccc3)C1n3[n]([Pd](Cl)(Cl)[n]4n1ccc4)ccc3)ccc2
• 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: 10.3908 ± 0.0007 Å
• b: 11.9666 ± 0.0008 Å
• c: 17.1508 ± 0.0013 Å
• α: 90°
• β: 106.646 ± 0.002°
• γ: 90°
• Cell volume: 2043.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No