Information card for entry 4089042

Structure parameters

• Formula: C38 H44 Cl1.74 I1.26 N3 Pd
• Calculated formula: C38 H44 Cl1.7367 I1.2633 N3 Pd
• Title of publication: Abnormal-NHC Palladium(II) Complexes: Rational Synthesis, Structural Elucidation, and Catalytic Activity
• Authors of publication: Rottschäfer, Dennis; Schürmann, Christian J.; Lamm, Jan-Hendrik; Paesch, Alexander N.; Neumann, Beate; Ghadwal, Rajendra S.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 19
• Pages of publication: 3421
• a: 9.151 ± 0.003 Å
• b: 11.811 ± 0.003 Å
• c: 18.42 ± 0.006 Å
• α: 103.33 ± 0.02°
• β: 96.42 ± 0.03°
• γ: 103.24 ± 0.02°
• Cell volume: 1857 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0343
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No