Information card for entry 4079637

Structure parameters

• Formula: C48 H46 B Cl3 F4 N4 P2 Pd
• Calculated formula: C48 H46 B Cl3 F4 N4 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: 14.296 ± 0.0005 Å
• b: 10.4914 ± 0.0002 Å
• c: 32.2 ± 0.0012 Å
• α: 90°
• β: 97.243 ± 0.003°
• γ: 90°
• Cell volume: 4791 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• 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: 0.0669
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No