Information card for entry 7002423

Structure parameters

• Formula: C40.5 H58 Cl2 N4 Zr
• Calculated formula: C40.5 H57.5 Cl2 N4 Zr
• Title of publication: Zirconium and hafnium complexes supported by linked bis(β-diketiminate) ligands: synthesis, characterization and catalytic application in ethylene polymerization
• Authors of publication: Gong, Shaogang; Ma, Haiyan; Huang, Jiling
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 8237 - 8247
• a: 11.6509 ± 0.0013 Å
• b: 31.598 ± 0.004 Å
• c: 11.651 ± 0.0013 Å
• α: 90°
• β: 110.906 ± 0.002°
• γ: 90°
• Cell volume: 4006.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1237
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No