Information card for entry 7012183

Structure parameters

• Formula: C30 H42 N4 O2
• Calculated formula: C30 H42 N4 O2
• SMILES: O=C(n1nc(C(C)(C)C)cc1C(C)(C)C)c1cccc(c1)C(=O)n1nc(cc1C(C)(C)C)C(C)(C)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: 11.0518 ± 0.0008 Å
• b: 25.9439 ± 0.0019 Å
• c: 10.0002 ± 0.0007 Å
• α: 90°
• β: 92.363 ± 0.001°
• γ: 90°
• Cell volume: 2864.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No