Information card for entry 4068717

Structure parameters

• Formula: C9 H15 Cl4 N5 Pd2
• Calculated formula: C9 H15 Cl4 N5 Pd2
• SMILES: [Pd](Cl)(=C1N(N(C(=[Pd](Cl)(Cl)[N]#CC)N1C)C)C)(Cl)[N]#CC
• Title of publication: Palladium Complexes with Triazolyldiylidene. Structural Features and Catalytic Applications
• Authors of publication: Zanardi, Alessandro; Mata, José A.; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1480
• a: 8.1284 ± 0.001 Å
• b: 10.132 ± 0.0012 Å
• c: 22.069 ± 0.003 Å
• α: 90°
• β: 94.604 ± 0.003°
• γ: 90°
• Cell volume: 1811.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No