Information card for entry 4334955

Structure parameters

• Formula: C32 H30 Cl4 N6 Pd2
• Calculated formula: C32 H30 Cl4 N6 Pd2
• SMILES: [Pd]1(Cl)([Cl][Pd]([Cl]1)(Cl)=C1N(N(N=C1c1ccc(cc1)C)c1ccccc1)C)=C1N(N(N=C1c1ccc(cc1)C)c1ccccc1)C
• Title of publication: Exploring the Scope of a Novel Ligand Class: Synthesis and Catalytic Examination of Metal Complexes with 'Normal' 1,2,3-Triazolylidene Ligands
• Authors of publication: Lars-Arne Schaper; Lilian Graser; Xuhui Wei; Rui Zhong; Karl Öfele; Alexander Pöthig; Mirza Cokoja; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6142 - 6152
• a: 11.9638 ± 0.001 Å
• b: 11.5099 ± 0.0011 Å
• c: 24.084 ± 0.002 Å
• α: 90°
• β: 95.061 ± 0.004°
• γ: 90°
• Cell volume: 3303.5 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0245
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No