Information card for entry 7012185

Structure parameters

• Formula: C16 H14 N4 O2
• Calculated formula: C16 H14 N4 O2
• SMILES: O=C(c1cc(ccc1)C(=O)n1ccc(C)n1)n1ccc(C)n1
• 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: 18.538 ± 0.002 Å
• b: 7.285 ± 0.0007 Å
• c: 11.3601 ± 0.0013 Å
• α: 90°
• β: 100.922 ± 0.002°
• γ: 90°
• Cell volume: 1506.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0475
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No