Information card for entry 7026739

Structure parameters

• Formula: C26 H27 Cl2 N S Zr
• Calculated formula: C26 H27 Cl2 N S Zr
• Title of publication: Preparation of half-metallocenes of thiophene-fused and tetrahydroquinoline-linked cyclopentadienyl ligands for ethylene/α-olefin copolymerization.
• Authors of publication: Park, Ji Hae; Do, Seung Hyun; Cyriac, Anish; Yun, Hoseop; Lee, Bun Yeoul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 41
• Pages of publication: 9994 - 10002
• a: 8.2571 ± 0.0004 Å
• b: 12.0707 ± 0.0005 Å
• c: 13.0344 ± 0.0005 Å
• α: 67.4605 ± 0.001°
• β: 80.9195 ± 0.0011°
• γ: 85.8239 ± 0.0012°
• Cell volume: 1184.75 ± 0.09 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No