Information card for entry 4067088

Structure parameters

• Formula: C21 H17 F3 N6 O Pt
• Calculated formula: C21 H17 F3 N6 O Pt
• SMILES: C12N(C=CN1CC(=O)N(c1ccccc1)[Pt]1=2[n]2ccccc2c2cc(C(F)(F)F)nn12)C
• Title of publication: A Heteroleptic Palladium(II) Complex Containing a Bidentate Carbene/Amido Ligand and 3-(Trifluoromethyl)-5-(2-pyridyl)pyrazolate: Fast Catalyst Activation in the Heck Coupling Reaction
• Authors of publication: Sie, Ming-Han; Hsieh, Yuan-Hsin; Tsai, Yi-Hua; Wu, Jia-Rong; Chen, Shih-Jung; Kumar, P. Vijaya; Lii, Jenn-Huei; Lee, Hon Man
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6473
• a: 7.837 ± 0.004 Å
• b: 11.7 ± 0.006 Å
• c: 12.451 ± 0.006 Å
• α: 74.083 ± 0.015°
• β: 88.881 ± 0.015°
• γ: 71.196 ± 0.014°
• Cell volume: 1036.3 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No