Information card for entry 7714569

Structure parameters

• Formula: C82 H96 N2 O4.5 Zr2
• Calculated formula: C82 H96 N2 O4.5 Zr2
• 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: 19.3473 ± 0.0004 Å
• b: 10.088 ± 0.0002 Å
• c: 37.1203 ± 0.0009 Å
• α: 90°
• β: 91.104 ± 0.001°
• γ: 90°
• Cell volume: 7243.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No