Information card for entry 4089044

Structure parameters

• Formula: C38 H45 Cl0.15 I1.85 N3 Pd
• Calculated formula: C38 H45 Cl0.1461 I1.8539 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: 9.2685 ± 0.0003 Å
• b: 11.7625 ± 0.0004 Å
• c: 18.2798 ± 0.0008 Å
• α: 101.143 ± 0.004°
• β: 96.316 ± 0.004°
• γ: 102.93 ± 0.003°
• Cell volume: 1881.1 ± 0.13 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 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: 0.0307
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No