Information card for entry 7023955

Structure parameters

• Formula: C26 H20 Cl2 N6 O2 Zr
• Calculated formula: C26 H20 Cl2 N6 O2 Zr
• SMILES: c12ccc(cc1n1[n](c3c(cccc3)n1)[Zr]1(O2)(Cl)([n]2n(c3c(ccc(c3)C)O1)nc1ccccc21)Cl)C
• Title of publication: Group iv complexes containing the benzotriazole phenoxide ligand as catalysts for the ring-opening polymerization of lactides, epoxides and as precatalysts for the polymerization of ethylene.
• Authors of publication: Pappuru, Sreenath; Chokkapu, Eswara Rao; Chakraborty, Debashis; Ramkumar, Venkatachalam
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 46
• Pages of publication: 16412 - 16427
• a: 18.6144 ± 0.0015 Å
• b: 10.8807 ± 0.0008 Å
• c: 15.455 ± 0.0012 Å
• α: 90°
• β: 124.471 ± 0.003°
• γ: 90°
• Cell volume: 2580.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0257
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0639
• 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