Information card for entry 7023952

Structure parameters

• Formula: C26 H20 Cl2 Hf N6 O2
• Calculated formula: C26 H20 Cl2 Hf N6 O2
• SMILES: c12ccc(cc1n1[n](c3c(cccc3)n1)[Hf]1(Cl)(Cl)([n]3c4c(cccc4)nn3c3c(ccc(c3)C)O1)O2)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: 18.5596 ± 0.0006 Å
• b: 10.9098 ± 0.0003 Å
• c: 15.4502 ± 0.0005 Å
• α: 90°
• β: 124.501 ± 0.001°
• γ: 90°
• Cell volume: 2578.15 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0127
• Residual factor for significantly intense reflections: 0.0124
• Weighted residual factors for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections included in the refinement: 0.0324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No