Information card for entry 7012189

Structure parameters

• Formula: C30 H42 Cl4 N4 O2 Pd2
• Calculated formula: C30 H42 Cl4 N4 O2 Pd2
• SMILES: [Pd]12([Cl][Pd](Cl)([Cl]1)[n]1n(C(=O)c3cc(C(=O)n4[n]2c(C(C)(C)C)cc4C(C)(C)C)ccc3)c(C(C)(C)C)cc1C(C)(C)C)Cl
• Title of publication: Benzenedicarbonyl and benzenetricarbonyl linker pyrazolyl complexes of palladium(II): synthesis, X-ray structures and evaluation as ethylene polymerisation catalysts
• Authors of publication: Guzei, Ilia A.; Li, Kelin; Bikzhanova, Galina A.; Darkwa, James; Mapolie, Selwyn F.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 715 - 722
• a: 11.8754 ± 0.001 Å
• b: 12.1953 ± 0.001 Å
• c: 14.4906 ± 0.0013 Å
• α: 86.828 ± 0.002°
• β: 72.34 ± 0.002°
• γ: 63.363 ± 0.002°
• Cell volume: 1779.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No