Information card for entry 7052920

Structure parameters

• Formula: C20 H23 B F4 N4 Pd
• Calculated formula: C20 H23 B F4 N4 Pd
• Title of publication: Synthesis of a sterically modulated pyridine‒NHC palladium complex and its reactivity towards ethylene
• Authors of publication: Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Milani, Barbara; Albrecht, Martin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1552
• a: 6.98977 ± 0.00007 Å
• b: 20.8653 ± 0.0002 Å
• c: 14.1374 ± 0.0001 Å
• α: 90°
• β: 92.862 ± 0.001°
• γ: 90°
• Cell volume: 2059.28 ± 0.03 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: 0.0255
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No