Information card for entry 7012187

Structure parameters

• Formula: C24.5 H25 Cl1.5 N6 O3
• Calculated formula: C24 H24 N6 O3
• SMILES: O=C(n1nc(cc1C)C)c1cc(cc(c1)C(=O)n1nc(cc1C)C)C(=O)n1nc(cc1C)C
• 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: 23.36 ± 0.002 Å
• b: 17.3164 ± 0.0015 Å
• c: 16.6335 ± 0.0015 Å
• α: 90°
• β: 128.107 ± 0.001°
• γ: 90°
• Cell volume: 5294.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No