Information card for entry 1505794

Structure parameters

• Formula: C34 H48 Cl2 N2 O2 Zr
• Calculated formula: C34 H48 Cl2 N2 O2 Zr
• SMILES: [Zr]12(Cl)(Cl)(Oc3c(C(C)(C)C)cccc3C=[N]1C1CCCCC1)Oc1c(cccc1C=[N]2C1CCCCC1)C(C)(C)C
• Title of publication: Phenoxycycloalkylimine Ligated Zirconium Complexes for Ethylene Polymerization: Formation of Vinyl-Terminated Low Molecular Weight Polyethylenes with High Efficiency
• Authors of publication: Terao, Hiroshi; Ishii, Sei-ichi; Saito, Junji; Matsuura, Sadahiko; Mitani, Makoto; Nagai, Naoshi; Tanaka, Hidetsugu; Fujita, Terunori
• Journal of publication: Macromolecules
• Year of publication: 2006
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 8584
• a: 23.367 ± 0.002 Å
• b: 23.367 ± 0.002 Å
• c: 14.368 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7845.2 ± 1.4 ų
• Cell temperature: 233.2 K
• Ambient diffraction temperature: 233.2 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No