Information card for entry 7714572

Structure parameters

• Formula: C82 H95 F Hf2 N2 O4.5
• Calculated formula: C80 H91 F Hf2 N2 O4
• SMILES: [Hf]12(Oc3c(cc(cc3c3[n]1c(ccc3)c1c2c(F)c2[Hf]3(Oc4c(c5[n]3c(c2c1)ccc5)cc(cc4C(C)(C)C)C(C)(C)C)([O]1CCCC1)(Cc1ccccc1)Cc1ccccc1)C(C)(C)C)C(C)(C)C)([O]1CCCC1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Coplanar binuclear group 4 post-metallocene complexes supported by chelating μ-(σ₂-aryl) ligands: characterisation and olefin polymerisation catalysis.
• Authors of publication: Li, Yufang; Liu, Qian; Bao, Junhui; Yiu, Shek-Man; Chan, Michael C. W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 346 - 353
• a: 18.1231 ± 0.0005 Å
• b: 22.0856 ± 0.0006 Å
• c: 18.4615 ± 0.0006 Å
• α: 90°
• β: 99.607 ± 0.001°
• γ: 90°
• Cell volume: 7285.8 ± 0.4 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• 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: 0.0284
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No