Information card for entry 7044716

Structure parameters

• Formula: C13 H10 Cl4 N3 O Ta
• Calculated formula: C13 H10 Cl4 N3 O Ta
• SMILES: c1cccc2c1[n]1n(c3cc(ccc3O[Ta]1(Cl)(Cl)(Cl)Cl)C)n2
• Title of publication: Synthesis and Characterization of Benzotriazole or Benzoxazole Phenoxide Ligands Supported Nb and Ta Metal Complexes and their Application for the Synthesis of Hyperbranched Polyglycerols by Ring-Opening Polymerisation of Glycidol
• Authors of publication: pappuru, sreenath; Chakraborty, Debashis; V, Ramkumar
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 10.0945 ± 0.0007 Å
• b: 10.1728 ± 0.0008 Å
• c: 10.1749 ± 0.0008 Å
• α: 90.006 ± 0.003°
• β: 119.103 ± 0.003°
• γ: 111.1 ± 0.003°
• Cell volume: 831.82 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No