Information card for entry 7023950

Structure parameters

• Formula: C44 H62 N6 O8 Zr2
• Calculated formula: C44 H62 N6 O8 Zr2
• SMILES: c12ccc(cc1n1[n](c3ccccc3n1)[Zr]1([O]2[Zr]2([n]3n(c4c(ccc(c4)C)[O]12)nc1ccccc31)(OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)(OC(C)C)OC(C)C)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: 17.9699 ± 0.0008 Å
• b: 12.6633 ± 0.0006 Å
• c: 22.2998 ± 0.001 Å
• α: 90°
• β: 111.613 ± 0.002°
• γ: 90°
• Cell volume: 4717.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No