Information card for entry 7044718

Structure parameters

• Formula: C52 H40 Cl8 N12 Nb4 O8
• Calculated formula: C52 H40 Cl8 N12 Nb4 O8
• SMILES: c1cccc2c1[n]1n(c3cc(ccc3O[Nb]31(O[Nb]1([n]4c5ccccc5nn4c4cc(ccc4O1)C)(O[Nb]1([n]4c5ccccc5nn4c4cc(ccc4O1)C)(O[Nb]1([n]4c5ccccc5nn4c4cc(ccc4O1)C)(O3)(Cl)Cl)(Cl)Cl)(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: 20.028 ± 0.004 Å
• b: 20.028 ± 0.004 Å
• c: 20.966 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8410 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No