Information card for entry 7110851

Structure parameters

• Formula: C54 H81 N O2 Zr
• Calculated formula: C54 H56 N O2 Zr
• Title of publication: Novel zirconium complexes of amine bis(phenolate) ligands. Remarkable reactivity in polymerization of hex-1-ene due to an extra donor arm
• Authors of publication: Tshuva, Edit Y.; Goldberg, Israel; Kol, Moshe; Weitman, Hana; Goldschmidt, Zeev
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 379
• a: 10.484 ± 0.0001 Å
• b: 19.297 ± 0.0004 Å
• c: 24.594 ± 0.0005 Å
• α: 90°
• β: 91.048 ± 0.001°
• γ: 90°
• Cell volume: 4974.77 ± 0.15 ų
• Cell temperature: 116 K
• Ambient diffraction temperature: 116 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: 0.0624
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No