Information card for entry 7110850

Structure parameters

• Formula: C53 H80 N2 O2 Zr
• Calculated formula: C48 H60 N2 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: 18.452 ± 0.001 Å
• b: 19.131 ± 0.001 Å
• c: 28.239 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9968.5 ± 0.8 ų
• Cell temperature: 117 K
• Ambient diffraction temperature: 117 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.148
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.2636
• Weighted residual factors for all reflections included in the refinement: 0.2853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No