Information card for entry 7000144

Structure parameters

• Formula: C24 H28 Cl2 N2 O4 Zr
• Calculated formula: C24 H28 Cl2 N2 O4 Zr
• SMILES: Cl[Zr]12(Cl)([N]3=C(c4c(c(ccc4)C)O1)OCC3(C)C)[N]1=C(c3c(c(ccc3)C)O2)OCC1(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: 11.4174 ± 0.0018 Å
• b: 13.9809 ± 0.0009 Å
• c: 15.0376 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2400.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No