Information card for entry 4083605

Structure parameters

• Formula: C21 H26 Cl2 N4 Pd
• Calculated formula: C21 H26 Cl2 N4 Pd
• SMILES: [Pd]1(Cl)(Cl)=C2N(c3c(C[N]1(C)C)cccc3)C(=NN2C(C)(C)C)c1ccccc1
• Title of publication: Palladium(II) Complexes of 1,2,4-Triazole-BasedN-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity
• Authors of publication: Turek, Jan; Panov, Illia; Semler, Miloslav; Štěpnička, Petr; De Proft, Frank; Padělková, Zdeňka; Růžička, Aleš
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3108
• a: 9.908 ± 0.0008 Å
• b: 14.835 ± 0.0009 Å
• c: 15.0951 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2218.8 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No