Information card for entry 7000143

Structure parameters

• Formula: C30 H40 Cl2 N2 O4 Zr
• Calculated formula: C30 H40 Cl2 N2 O4 Zr
• SMILES: c12c(C(C)(C)C)cccc2C2=[N]([Zr]3(O1)(Cl)([N]1=C(OCC1(C)C)c1c(c(C(C)(C)C)ccc1)O3)Cl)C(CO2)(C)C
• Title of publication: Group 4 salicyloxazolines are potent polymerization catalysts.
• Authors of publication: Bott, Robyn K. J.; Hammond, Max; Horton, Peter N.; Lancaster, Simon J.; Bochmann, Manfred; Scott, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 22
• Pages of publication: 3611 - 3613
• a: 15.947 ± 0.003 Å
• b: 8.3503 ± 0.0017 Å
• c: 22.819 ± 0.005 Å
• α: 90°
• β: 90.41 ± 0.03°
• γ: 90°
• Cell volume: 3038.6 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No