Information card for entry 4079635

Structure parameters

• Formula: C47 H41 B Cl4 F4 N2 P2 Pd
• Calculated formula: C47 H41 B Cl4 F4 N2 P2 Pd
• Title of publication: Convenient Synthetic Route to Palladium Complexes of Unconventional N-Heterocyclic Carbenes Derived from Pyridazine and Phthalazine
• Authors of publication: Guo, Tongxun; Dechert, Sebastian; Meyer, Steffen; Meyer, Franc
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 24
• Pages of publication: 8537
• a: 20.2183 ± 0.0004 Å
• b: 14.8686 ± 0.0004 Å
• c: 15.0359 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4520.06 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No