Information card for entry 4079634

Structure parameters

• Formula: C42 H37 B Cl2 F4 N2 P2 Pd
• Calculated formula: C42 H37 B Cl2 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: 14.2981 ± 0.0004 Å
• b: 10.766 ± 0.0002 Å
• c: 25.511 ± 0.0007 Å
• α: 90°
• β: 92.774 ± 0.002°
• γ: 90°
• Cell volume: 3922.39 ± 0.17 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: 0.0347
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No