Information card for entry 7102967

Structure parameters

• Formula: C54 H87 Hf N O4
• Calculated formula: C53.97 H86.93 Hf N O4
• Title of publication: Highly active and stereoselective zirconium and hafnium alkoxide initiators for solvent-free ring-opening polymerization of rac-lactide.
• Authors of publication: Chmura, Amanda J; Davidson, Matthew G; Frankis, Catherine J; Jones, Matthew D; Lunn, Matthew D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1293 - 1295
• a: 14.57 ± 0.0001 Å
• b: 14.57 ± 0.0001 Å
• c: 25.41 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5394.16 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No