Information card for entry 7002532

Structure parameters

• Formula: C59 H87 Al2 Cl6 O4 S2 Zr
• Calculated formula: C59 H87 Al2 Cl6 O4 S2 Zr
• Title of publication: Zirconium and hafnium complexes of the thio(bisphenolato) ligand: synthesis, structural characterization and testing as 1-hexene polymerization catalysts
• Authors of publication: Janas, Zofia; Godbole, Dorota; Nerkowski, Tomasz; Szczegot, Krzysztof
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 8846 - 8853
• a: 14.737 ± 0.005 Å
• b: 15.552 ± 0.005 Å
• c: 16.69 ± 0.005 Å
• α: 73.73 ± 0.02°
• β: 86.36 ± 0.02°
• γ: 62.22 ± 0.02°
• Cell volume: 3238.6 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No