Information card for entry 4330959

Structure parameters

• Formula: C23 H22 Cl N2 O Pd0.5
• Calculated formula: C23 H22 Cl N2 O Pd0.5
• Title of publication: A Palladium(II) Center Activates Nitrile Ligands toward 1,3-Dipolar Cycloaddition of Nitrones Substantially More than the Corresponding Platinum(II) Center
• Authors of publication: Andreii S. Kritchenkov; Nadezhda A. Bokach; Galina L. Starova; Vadim Yu. Kukushkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11971 - 11979
• a: 15.4926 ± 0.0016 Å
• b: 11.5375 ± 0.0011 Å
• c: 11.8489 ± 0.0012 Å
• α: 90°
• β: 110.089 ± 0.002°
• γ: 90°
• Cell volume: 1989.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No