Information card for entry 7054842

Structure parameters

• Chemical name: tbu_hf
• Formula: C52.14 H80.16 Cl6 Hf N2 O2
• Calculated formula: C52.14 H80.16 Cl6 Hf N2 O2
• Title of publication: Zwitterionic group 4 aminophenolate catalysts for the polymerization of lactides and ethylene
• Authors of publication: Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 5218
• a: 20.6487 ± 0.0009 Å
• b: 10.3507 ± 0.0004 Å
• c: 14.0719 ± 0.0007 Å
• α: 90°
• β: 99.266 ± 0.002°
• γ: 90°
• Cell volume: 2968.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No