Information card for entry 7030601

Structure parameters

• Formula: C58.6 H86.8 Al2 Cl6.4 Hf O4 S2
• Calculated formula: C58.6 H86.8 Al2 Cl6.4 Hf O4 S2
• 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: 14.802 ± 0.004 Å
• b: 15.571 ± 0.004 Å
• c: 16.625 ± 0.004 Å
• α: 73.88 ± 0.03°
• β: 86.93 ± 0.03°
• γ: 62.71 ± 0.03°
• Cell volume: 3259.2 ± 1.8 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: 0.0572
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002531
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No