Information card for entry 7007798

Structure parameters

• Formula: C46 H57 Cl2 N3 O2 Zr
• Calculated formula: C46 H57 Cl2 N3 O2 Zr
• SMILES: [Zr]123(Cl)(Cl)Oc4c(cc(cc4C=[N]1c1ccccc1CCc1ccccc1[N]2=Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.N#CC
• Title of publication: Group 4 catalysts for ethene polymerization containing tetradentate salicylaldiminato ligands.
• Authors of publication: Clarkson, Guy J.; Gibson, Vernon C.; Goh, Peter K. Y.; Hammond, Max L.; Knight, Paul D.; Scott, Peter; Smit, Theo M.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 46
• Pages of publication: 5484 - 5491
• a: 25.981 ± 0.004 Å
• b: 13.1764 ± 0.0004 Å
• c: 26.4518 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9055.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.0946
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No